(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-27-20(24)18(15-6-3-2-4-7-15)28-19(23)16-9-12-22(13-10-16)29(25,26)17-8-5-11-21-14-17/h2-8,11,14,16,18H,9-10,12-13H2,1H3