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

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-16(17-6-3-2-4-7-17)23-20(25)15-29-21(26)18-9-12-24(13-10-18)30(27,28)19-8-5-11-22-14-19/h2-8,11,14,16,18H,9-10,12-13,15H2,1H3,(H,23,25)