(4-ethanoylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-ethanoylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-acetylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (4-acetylphenyl) ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N2O5S/c1-15(24)17-4-6-19(7-5-17)28-21(25)18-10-12-23(13-11-18)29(26,27)20-8-2-16(14-22)3-9-20/h2-9,18H,10-13H2,1H3