N-(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-(4-methylpiperazino)-3-nitro-benzenesulfonamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H24N4O4S/c1-14-4-6-17(15(2)12-14)20-28(26,27)16-5-7-18(19(13-16)23(24)25)22-10-8-21(3)9-11-22/h4-7,12-13,20H,8-11H2,1-3H3