1-(3-cyanophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-(3-cyanophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-(3-cyanophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-(3-cyanophenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3-cyanophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-(3-cyanophenyl)sulfonyl-4-phenyl-isonipecotic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H18N2O4S/c20-14-15-5-4-8-17(13-15)26(24,25)21-11-9-19(10-12-21,18(22)23)16-6-2-1-3-7-16/h1-8,13H,9-12H2,(H,22,23)