(2-oxidanylidene-2-propan-2-yloxy-ethyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)OC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H22N2O6S/c1-13(2)26-17(21)12-25-18(22)15-7-9-20(10-8-15)27(23,24)16-5-3-14(11-19)4-6-16/h3-6,13,15H,7-10,12H2,1-2H3