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

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

Click to see the large picture

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(=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(=CC(=C4)C)C

InChI

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