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

Systemtic Name: (3-cyanophenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (3-cyanobenzyl) ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c22-13-16-4-6-20(7-5-16)29(26,27)24-10-8-19(9-11-24)21(25)28-15-18-3-1-2-17(12-18)14-23/h1-7,12,19H,8-11,15H2