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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N2O5S/c22-14-16-6-8-19(9-7-16)29(26,27)23-12-10-18(11-13-23)21(25)28-15-20(24)17-4-2-1-3-5-17/h1-9,18H,10-13,15H2