Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 450.47042 [g/mol] Molecular Formula C21H18N6O4S XLogP 2 H-Bond Donor 3 H-Bond Acceptor 10 Rotatable Bond Count 7 Tautomer Count 9 Exact Mass 450.111024 MonoIsotopic Mass 450.111024 Topological Polar Surface Area 160 Heavy Atom Count 32 Formal Charge 0 Complexity 875 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4-[[4-[2-[(3,
4-dioxonaphthalen-1-yl)amino]ethyl]-3H-imidazol-2-yl]diazenyl]
benzenesulfonamide
Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=O)C2=O)NCCC3=CN=C(N3)N=NC4=CC=C(C=C4)S(=O)(=O)N
InChI: InChI=1/C21H18N6O4S/c22-32(30,
31)15-7-5-13(6-8-15)26-27-21-24-12-14(25-21)9-10-23-18-11-19(28)20(29)
17-4-2-1-3-16(17)18/h1-8,11-12,23H,9-10H2,(H,24,25)(H2,22,30,
31)/b27-26+/f/h25H,22H2
Other Chemicals
- Aflatrem ,AIDS133599,AIDS-133599,NSC629669,{4H-3,15a-Epoxy-1-benzoxepino[6',7':6,7]indeno[1,} 2-b\]ind
- IUPAC Name: 2-[[(2R)-3-hexadecanoyloxy-2-octadeca-6,,9-dienoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethyl
- EINECS 268-257-3,2,4-Dimethyl-6-phenyl-1-oxacyclohex-3-ene,3,6-Dihydro-4,6-dimethyl-2-phenyl-2H-pyran,5,6-Dihy
- N(7)-Etd-GTP ,N(7)-Ethyldeoxyguanosine 5'-triphosphate ,122055-03-2,
- N,N-Didodecyl-2-propenamide,2-Propenamide, N,N-didodecyl-,86291-70-5,
- dCpdG ,Dcmp-d-guanosine ,Deoxycytosine phosphate deoxyguanosine ,deoxycytidylyl-(3'-5')-deoxyguanosine
- Benzenamine,4-(dicyclohexylphosphino)-N,N-dimethyl-,Benzenamine, 4-(dicyclohexylphosphino)-N,N-dimethyl-,40438
- BRN 0927380,NSC291085,LS-32550,N,N-Dimethyl-4,6-dinitro-1H-benzimidazol-5-amine,1H-Benzimidazol-5-amine, N,N-d
- Bismark Brown ,CCRIS 1216,1,2-Benzenediamine, 3-((4-aminophenyl)azo)-,LS-188785,10114-58-6,80324-43-2,
- 5,5-Dimethyl-3-(4-methylphenyl)cyclohex-2-enone,5,5-Dimethyl-3-(4-methylphenyl)cyclohex-2-en-1-one,5,5-Dimethy
- Pyr-his-dmp-NH2 ,RX-77368 ,RX 77368 ,L-Pyroglutamyl-L-histidyl-3,3-dimethylprolinamide ,5-Oxo-L-prolyl-L-histi
- Titanium, methyltripropoxy-,64516-16-1,
- Dic2OCOC9 ,1,2-Diacetyl-3-decanoylglycerol ,Decanoic acid, 2,3-bis(acetyloxy)propyl ester, (+-)-,120294-03-3,
- Bicyclo[1.1.0]butane,Bicyclo(1.1.0)butane,InChI=1/C4H6/c1-3-2-4(1)3/h3-4H,1-2H,157-33-5,
- IUPAC Name: N-[1-[5-[5'-acetamido-4',8-dihydroxy-7-(hydroxymethyl)-3-oxo-6'-(1,2,,3-trihydroxypropyl)spiro[5,7
- Dmftic ,4',5'-Dimethylfluorescein isothiocyanate ,92457-52-8,Spiro(isobenzofuran-1(3H),9'-(9H)xant
- Azetidine, 1-benzoyl-,Azetidine, 1-benzoyl-,,3420-62-0,
- EINECS 269-576-0,2-(Butyl((pentadecafluoroheptyl)sulphonyl)amino)ethyl acrylate,2-Propenoic acid, 2-(((pentade
- Methyl phenyl carbonate,Carbonic acid, methyl phenyl ester,ZINC02526463,13509-27-8,
- Silane, chloro(4-(dimethylsilyl)phenyl)dimethyl-,17873-29-9,
- 5-Aza-dctp ,5-Aza-2'-deoxycytidine-5'-triphosphate ,1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-5-O-(h
- 2-Cyanophenyl isothiocyanate,2-Isothiocyanatobenzonitrile,ZINC02169691,81431-98-3,
- 2-Bromo-4,4'-dichlorobutyrophenone,EINECS 223-176-2,3760-66-5,
- Di-tert-butyl sulfoxide,[(CH3)3C]2SO,NSC244328,2211-92-9,
- EINECS 264-202-2,Hydroxy(2-methylprop-2-enoato-O)zinc,Zinc, hydroxy(2-methyl-2-propenoato-kappaO)-,63451-47-8,
- EINECS 254-928-8,1,4-Bis(2-hydroxy-3-sulfopropoxy)-2-butyne, disodium salt,1-Propanesulfonic acid, 3,3'-(2
- Ethanone, 1-(4-(diethylamino)phenyl)-2-hydroxy-2-phenyl-,63450-47-5,
- EtNBS ,5-Ethylamino-9-diethylaminobenzo(a)phenothiazinium ,5-Ethylamino-9-diethylaminobenzo(a)phenothiazinium
- STOCK2S-11232,2,4-Dimethylcyclohexylmethyl acetate,EINECS 266-827-6,Cyclohexanemethanol, 2,4-dimethyl-, acetat
- IUPAC Name: 8-[4-[4-(2-amino-2-oxoethyl)phenyl]diazenyl-6-sulfonaphthalen-1-yl],diazenyl-5-(2-hydroxy-6-sulfon