3-cyano-4-[[(2R)-4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-cyano-4-[[(2R)-4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]benzenesulfonamide Openeye Name: 3-cyano-4-[[(1R)-3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]benzenesulfonamide CAS Name: 3-cyano-4-[[(2R)-4-(dimethylamino)-1-(phenylthio)butan-2-yl]amino]benzenesulfonamide IUPAC Name: 3-cyano-4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]benzenesulfonamide Traditional Name: 3-cyano-4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]benzenesulfonamide Formula: C19H24N4O2S2 MolecularWeight: 404.54946

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)C#N

Isomeric SMILES

CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)C#N

InChI

InChI=1S/C19H24N4O2S2/c1-23(2)11-10-16(14-26-17-6-4-3-5-7-17)22-19-9-8-18(27(21,24)25)12-15(19)13-20/h3-9,12,16,22H,10-11,14H2,1-2H3,(H2,21,24,25)/t16-/m1/s1