cyanomethyl 1-(3-ethanoylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: cyanomethyl 1-(3-ethanoylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: cyanomethyl 1-(3-acetylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-(3-acetylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonyl-4-phenyl-isonipecotic acid cyanomethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC#N

InChI

InChI=1S/C22H22N2O5S/c1-17(25)18-6-5-9-20(16-18)30(27,28)24-13-10-22(11-14-24,21(26)29-15-12-23)19-7-3-2-4-8-19/h2-9,16H,10-11,13-15H2,1H3