(2-aminocarbonyl-5-methoxy-phenyl) 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (2-aminocarbonyl-5-methoxy-phenyl) 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-carbamoyl-5-methoxy-phenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (2-carbamoyl-5-methoxyphenyl) ester IUPAC Name: (2-carbamoyl-5-methoxyphenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (2-carbamoyl-5-methoxy-phenyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O6S/c1-27-15-7-8-17(19(21)23)18(13-15)28-20(24)14-9-11-22(12-10-14)29(25,26)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H2,21,23)