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

Systemtic Name: N-(2,3-dimethylphenyl)-2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2,3-dimethylphenyl)-2-methyl-5-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(2,3-dimethylphenyl)-2-methyl-5-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2,3-dimethylphenyl)-2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(2,3-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=CC(=C4C)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=CC(=C4C)C

InChI

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