1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 2-(2-pyridylthio)-1-(4-tosylpiperazino)ethanone Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C18H21N3O3S2/c1-15-5-7-16(8-6-15)26(23,24)21-12-10-20(11-13-21)18(22)14-25-17-4-2-3-9-19-17/h2-9H,10-14H2,1H3