N-(3,4-dimethylphenyl)-4-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C

InChI

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