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

Systemtic Name: 4-[[1-(dimethylamino)-3-phenylsulfanyl-propan-2-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[1-(dimethylaminomethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[1-(dimethylamino)-3-(phenylthio)propan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[1-(dimethylamino)-3-phenylsulfanylpropan-2-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-(dimethylaminomethyl)-2-(phenylthio)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4S2/c1-20(2)11-13(12-26-14-6-4-3-5-7-14)19-16-9-8-15(27(18,24)25)10-17(16)21(22)23/h3-10,13,19H,11-12H2,1-2H3,(H2,18,24,25)