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

Systemtic Name: [2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C16H21ClN2O6S MolecularWeight: 404.86574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H21ClN2O6S/c1-24-14-4-3-12(17)9-13(14)18-15(20)10-25-16(21)11-5-7-19(8-6-11)26(2,22)23/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,20)