2-(2-methylphenyl)sulfanyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-methylphenyl)sulfanyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(o-tolylsulfanyl)ethanone CAS Name: 2-[(2-methylphenyl)thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-methylphenyl)sulfanylethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(o-tolylthio)ethanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S2/c1-17-7-5-6-10-19(17)26-15-20(23)21-11-13-22(14-12-21)27(24,25)16-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3