N-(4-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: 4-methylsulfanyl-N-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-N-(p-tolyl)benzenesulfonamide CAS Name: N-(4-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-(4-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-keto-2-(4-tosylpiperazino)ethyl]-4-(methylthio)-N-(p-tolyl)benzenesulfonamide Formula: C27H31N3O5S3 MolecularWeight: 573.74714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O5S3/c1-21-4-8-23(9-5-21)30(38(34,35)26-14-10-24(36-3)11-15-26)20-27(31)28-16-18-29(19-17-28)37(32,33)25-12-6-22(2)7-13-25/h4-15H,16-20H2,1-3H3