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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=CNC2=O)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=CNC2=O)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O6S/c23-17(13-28-19(25)16-7-4-8-20-18(16)24)21-9-11-22(12-10-21)29(26,27)14-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,20,24)