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

Systemtic Name: 4-[[1-[2-dimethylaminoethyl(methyl)amino]-3-phenylsulfanyl-propan-2-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[1-[[2-dimethylaminoethyl(methyl)amino]methyl]-2-phenylsulfanyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[1-[2-dimethylaminoethyl(methyl)amino]-3-(phenylthio)propan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[1-[2-dimethylaminoethyl(methyl)amino]-3-phenylsulfanylpropan-2-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-[[2-dimethylaminoethyl(methyl)amino]methyl]-2-(phenylthio)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C20H29N5O4S2 MolecularWeight: 467.60536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4S2/c1-23(2)11-12-24(3)14-16(15-30-17-7-5-4-6-8-17)22-19-10-9-18(31(21,28)29)13-20(19)25(26)27/h4-10,13,16,22H,11-12,14-15H2,1-3H3,(H2,21,28,29)