[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O5S/c25-21-7-4-14-24(21)18-8-10-19(11-9-18)29-22(26)17-12-15-23(16-13-17)30(27,28)20-5-2-1-3-6-20/h1-3,5-6,8-11,17H,4,7,12-16H2