4-[[3-(dimethylamino)-2-phenylsulfanyl-propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[3-(dimethylamino)-2-phenylsulfanyl-propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[3-(dimethylamino)-2-phenylsulfanyl-propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[3-(dimethylamino)-2-(phenylthio)propyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[3-(dimethylamino)-2-phenylsulfanylpropyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-(dimethylamino)-2-(phenylthio)propyl]amino]-3-nitro-benzenesulfonamide Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

CN(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])SC2=CC=CC=C2

InChI

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