1-[(3-cyanophenyl)methylsulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methylsulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methylsulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methylsulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methylsulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)sulfonylisonipecotic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H16N2O4S/c15-9-11-2-1-3-12(8-11)10-21(19,20)16-6-4-13(5-7-16)14(17)18/h1-3,8,13H,4-7,10H2,(H,17,18)