[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(4-benzyloxyanilino)-2-oxo-ethyl] (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-oxo-2-(4-phenylmethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyanilino)ethyl] (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-besylpipecolinic acid [2-(4-benzoxyanilino)-2-keto-ethyl] ester Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O6S/c30-26(28-22-14-16-23(17-15-22)34-19-21-9-3-1-4-10-21)20-35-27(31)25-13-7-8-18-29(25)36(32,33)24-11-5-2-6-12-24/h1-6,9-12,14-17,25H,7-8,13,18-20H2,(H,28,30)/t25-/m1/s1