2-oxidanylidenepropyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: acetonyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid acetonyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S/c1-12(19)11-23-16(20)14-6-8-18(9-7-14)24(21,22)15-4-2-13(10-17)3-5-15/h2-5,14H,6-9,11H2,1H3