1-[(4-cyanophenyl)methylsulfonyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-cyanophenyl)methylsulfonyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-cyanophenyl)methylsulfonyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-cyanophenyl)methylsulfonyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-cyanophenyl)methylsulfonyl]piperidine-2-carboxylic acid Traditional Name: 1-(4-cyanobenzyl)sulfonylpipecolinic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)S(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCN(C(C1)C(=O)O)S(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H16N2O4S/c15-9-11-4-6-12(7-5-11)10-21(19,20)16-8-2-1-3-13(16)14(17)18/h4-7,13H,1-3,8,10H2,(H,17,18)