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

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C20H24N2O6S/c1-2-27-16-5-7-17(8-6-16)29(25,26)22-12-9-15(10-13-22)20(24)28-14-19(23)18-4-3-11-21-18/h3-8,11,15,21H,2,9-10,12-14H2,1H3