[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCOC2=CC=CC=C2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCOC2=CC=CC=C2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H25N3O6S/c25-20(23-11-14-29-18-5-2-1-3-6-18)16-30-21(26)17-8-12-24(13-9-17)31(27,28)19-7-4-10-22-15-19/h1-7,10,15,17H,8-9,11-14,16H2,(H,23,25)