[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 2-oxo-1H-pyridine-3-carboxylate CAS Name: 2-oxo-1H-pyridine-3-carboxylic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate Traditional Name: 2-keto-1H-pyridine-3-carboxylic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=CNC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=CNC3=O

InChI

InChI=1S/C19H21N3O6S/c1-14-4-6-15(7-5-14)29(26,27)22-11-9-21(10-12-22)17(23)13-28-19(25)16-3-2-8-20-18(16)24/h2-8H,9-13H2,1H3,(H,20,24)