(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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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)N3CCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N3CCCC3

InChI

InChI=1S/C20H26N2O6S/c1-15(23)17-5-4-6-18(13-17)29(26,27)22-11-7-16(8-12-22)20(25)28-14-19(24)21-9-2-3-10-21/h4-6,13,16H,2-3,7-12,14H2,1H3