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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=NC=C3

InChI

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