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

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C22H25FN2O6S MolecularWeight: 464.507103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O6S/c1-30-19-4-2-3-16(13-19)14-24-21(26)15-31-22(27)17-9-11-25(12-10-17)32(28,29)20-7-5-18(23)6-8-20/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,26)