[2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[3-(methylcarbamoyl)anilino]-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-keto-2-[3-(methylcarbamoyl)anilino]ethyl] ester Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H24N4O6S/c1-22-20(27)16-4-2-5-17(12-16)24-19(26)14-31-21(28)15-7-10-25(11-8-15)32(29,30)18-6-3-9-23-13-18/h2-6,9,12-13,15H,7-8,10-11,14H2,1H3,(H,22,27)(H,24,26)