[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-keto-2-(o-anisylamino)ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O6S/c1-29-20-10-6-5-7-18(20)15-23-21(25)16-30-22(26)17-11-13-24(14-12-17)31(27,28)19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3,(H,23,25)