[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C20H22N2O6S/c1-14(23)16-4-2-5-17(12-16)29(26,27)22-10-7-15(8-11-22)20(25)28-13-19(24)18-6-3-9-21-18/h2-6,9,12,15,21H,7-8,10-11,13H2,1H3