[1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloroanilino)-1-oxopropan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(2-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OC(C)C(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OC(C)C(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C17H23ClN2O5S/c1-3-26(23,24)20-10-8-13(9-11-20)17(22)25-12(2)16(21)19-15-7-5-4-6-14(15)18/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,21)