N-(3,4-dimethylphenyl)-2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(3,4-dimethylphenyl)-2-methyl-5-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(3,4-dimethylphenyl)-2-methyl-5-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(3,4-dimethylphenyl)-2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(3,4-dimethylphenyl)-2-methyl-5-(4-tosylpiperazine-1-carbonyl)benzenesulfonamide Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)S(=O)(=O)NC4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)S(=O)(=O)NC4=CC(=C(C=C4)C)C

InChI

InChI=1S/C27H31N3O5S2/c1-19-5-11-25(12-6-19)37(34,35)30-15-13-29(14-16-30)27(31)23-9-7-21(3)26(18-23)36(32,33)28-24-10-8-20(2)22(4)17-24/h5-12,17-18,28H,13-16H2,1-4H3