Free Chemical Databases
-
[Synonyms]
NSC172539
[Structure]
[ Properties Computed from Structure]
Molecular Weight 363.47264 [g/mol] Molecular Formula C22H21NO2S XLogP 5.8 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 2 Exact Mass 363.1293 MonoIsotopic Mass 363.1293 Topological Polar Surface Area 37.4 Heavy Atom Count 26 Formal Charge 0 Complexity 610 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: N,N,7,12-tetramethylbenzo[a]anthracene-4-sulfonamide
Canonical SMILES: CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C=CC=C3S(=O)(=O)N(C)C
InChI: InChI=1/C22H21NO2S/c1-14-16-8-5-6-9-17(16)15(2)22-18(14)12-13-19-20(22)
10-7-11-21(19)26(24,25)23(3)4/h5-13H,1-4H3
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