[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H24N2O6S/c1-24-15-5-3-4-13(10-15)11-18-16(20)12-25-17(21)14-6-8-19(9-7-14)26(2,22)23/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,18,20)