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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H27N3O5S/c26-21(24-13-4-8-18-6-2-1-3-7-18)17-30-22(27)19-10-14-25(15-11-19)31(28,29)20-9-5-12-23-16-20/h1-3,5-7,9,12,16,19H,4,8,10-11,13-15,17H2,(H,24,26)