(3-chlorophenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-chlorophenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-chlorophenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (3-chlorobenzyl) ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19ClN2O4S/c21-18-3-1-2-16(12-18)14-27-20(24)17-8-10-23(11-9-17)28(25,26)19-6-4-15(13-22)5-7-19/h1-7,12,17H,8-11,14H2