[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-23(2)21(25)20(17-9-5-3-6-10-17)29-22(26)18-13-15-24(16-14-18)30(27,28)19-11-7-4-8-12-19/h3-12,18,20H,13-16H2,1-2H3