(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28N2O5S/c27-23(25-15-7-8-16-25)22(19-9-3-1-4-10-19)31-24(28)20-13-17-26(18-14-20)32(29,30)21-11-5-2-6-12-21/h1-6,9-12,20,22H,7-8,13-18H2