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

Systemtic Name: N-(2-dimethylaminoethyl)-4-[(4-methylphenyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-(4-methylanilino)-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-(4-methylanilino)-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(4-methylanilino)-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-3-nitro-4-(p-toluidino)benzenesulfonamide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S/c1-13-4-6-14(7-5-13)19-16-9-8-15(12-17(16)21(22)23)26(24,25)18-10-11-20(2)3/h4-9,12,18-19H,10-11H2,1-3H3