4-[[5-(dimethylamino)-1-phenylsulfanyl-pentan-2-yl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[5-(dimethylamino)-1-phenylsulfanyl-pentan-2-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[4-(dimethylamino)-1-(phenylsulfanylmethyl)butyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(dimethylamino)-1-(phenylthio)pentan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-(dimethylamino)-1-phenylsulfanylpentan-2-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[4-(dimethylamino)-1-[(phenylthio)methyl]butyl]amino]-3-nitro-benzenesulfonamide Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O4S2/c1-22(2)12-6-7-15(14-28-16-8-4-3-5-9-16)21-18-11-10-17(29(20,26)27)13-19(18)23(24)25/h3-5,8-11,13,15,21H,6-7,12,14H2,1-2H3,(H2,20,26,27)