N-(2-dimethylaminoethyl)-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[methyl-[[4-(methylthio)phenyl]methyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[methyl-[4-(methylthio)benzyl]amino]-3-nitro-benzenesulfonamide Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O4S2/c1-21(2)12-11-20-29(26,27)17-9-10-18(19(13-17)23(24)25)22(3)14-15-5-7-16(28-4)8-6-15/h5-10,13,20H,11-12,14H2,1-4H3