2-[(2-methylphenyl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(o-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(2-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[(2-methylbenzyl)thio]ethanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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