2-(4-methylphenyl)sulfanyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(p-tolylsulfanyl)-1-[4-(3-pyridylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methylphenyl)thio]-1-[4-(3-pyridinylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylphenyl)sulfanyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(p-tolylthio)-1-[4-(3-pyridylsulfonyl)piperazino]ethanone Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

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