4-(4-methylphenyl)sulfonyl-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one

Systemtic Name: 4-(4-methylphenyl)sulfonyl-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one Openeye Name: 3-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-4-(p-tolylsulfonyl)piperazin-2-one CAS Name: 4-(4-methylphenyl)sulfonyl-3-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-piperazinone IUPAC Name: 4-(4-methylphenyl)sulfonyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one Traditional Name: 3-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-4-tosyl-piperazin-2-one Formula: C22H27N5O4S MolecularWeight: 457.54588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H27N5O4S/c1-17-5-7-18(8-6-17)32(30,31)27-11-10-24-22(29)19(27)16-21(28)26-14-12-25(13-15-26)20-4-2-3-9-23-20/h2-9,19H,10-16H2,1H3,(H,24,29)