N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-3-nitro-benzenesulfonamide Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H26N4O5S/c1-18-5-3-8-24(19(18)2)27-13-15-28(16-14-27)25(30)20-9-11-21(12-10-20)26-35(33,34)23-7-4-6-22(17-23)29(31)32/h3-12,17,26H,13-16H2,1-2H3