[1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C)OC

InChI

InChI=1S/C19H28N2O6S/c1-5-28(24,25)21-10-8-15(9-11-21)19(23)27-14(3)18(22)20-16-12-13(2)6-7-17(16)26-4/h6-7,12,14-15H,5,8-11H2,1-4H3,(H,20,22)