[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-17(19-9-5-3-6-10-19)24-22(26)18(2)30-23(27)20-13-15-25(16-14-20)31(28,29)21-11-7-4-8-12-21/h3-12,17-18,20H,13-16H2,1-2H3,(H,24,26)