1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-2-(2-thienylmethylsulfanyl)ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(thiophen-2-ylmethylthio)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone Traditional Name: 2-(2-thenylthio)-1-(4-tosylpiperazino)ethanone Formula: C18H22N2O3S3 MolecularWeight: 410.57388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=CS3

InChI

InChI=1S/C18H22N2O3S3/c1-15-4-6-17(7-5-15)26(22,23)20-10-8-19(9-11-20)18(21)14-24-13-16-3-2-12-25-16/h2-7,12H,8-11,13-14H2,1H3