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

Systemtic Name: [1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H23ClN2O6S MolecularWeight: 418.89232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H23ClN2O6S/c1-11(16(21)19-14-10-13(18)4-5-15(14)25-2)26-17(22)12-6-8-20(9-7-12)27(3,23)24/h4-5,10-12H,6-9H2,1-3H3,(H,19,21)