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

Systemtic Name: N-(4-methylphenyl)-4-methylsulfanyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-4-methylsulfanyl-N-(p-tolyl)benzenesulfonamide CAS Name: N-(4-methylphenyl)-4-(methylthio)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-keto-ethyl]-4-(methylthio)-N-(p-tolyl)benzenesulfonamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C27H31N3O3S2/c1-22-8-10-24(11-9-22)30(35(32,33)26-14-12-25(34-2)13-15-26)21-27(31)29-18-16-28(17-19-29)20-23-6-4-3-5-7-23/h3-15H,16-21H2,1-2H3