1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-cyanophenyl)methylsulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxylic acid Traditional Name: 1-(2-cyanobenzyl)sulfonylnipecotic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2C#N)C(=O)O

InChI

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