[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CN3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CN3)C

InChI

InChI=1S/C21H26N2O5S/c1-14-11-15(2)20(16(3)12-14)29(26,27)23-9-6-17(7-10-23)21(25)28-13-19(24)18-5-4-8-22-18/h4-5,8,11-12,17,22H,6-7,9-10,13H2,1-3H3