(3-cyanophenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid (3-cyanobenzyl) ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H22N2O5S/c1-16(25)19-8-10-20(11-9-19)30(27,28)24-12-3-2-7-21(24)22(26)29-15-18-6-4-5-17(13-18)14-23/h4-6,8-11,13,21H,2-3,7,12,15H2,1H3