Free Chemical Databases
-
[Synonyms]
NSC99884
17627-00-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 315.4945 [g/mol] Molecular Formula C15H25NO2S2 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 8 Exact Mass 315.13267 MonoIsotopic Mass 315.13267 Topological Polar Surface Area 46.5 Heavy Atom Count 20 Formal Charge 0 Complexity 381 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-(dibutyl-λ4-sulfanylidene)-4-methylbenzenesulfonamide
Canonical SMILES: CCCCS(=NS(=O)(=O)C1=CC=C(C=C1)C)CCCC
InChI: InChI=1/C15H25NO2S2/c1-4-6-12-19(13-7-5-2)16-20(17,
18)15-10-8-14(3)9-11-15/h8-11H,4-7,12-13H2,1-3H3
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