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

Systemtic Name: 1-[(4-fluorophenyl)methylsulfonyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)methylsulfonyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methylsulfonyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)methylsulfonyl]piperidine-2-carboxylic acid Traditional Name: 1-(4-fluorobenzyl)sulfonylpipecolinic acid Formula: C13H16FNO4S MolecularWeight: 301.333843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)S(=O)(=O)CC2=CC=C(C=C2)F

Isomeric SMILES

C1CCN(C(C1)C(=O)O)S(=O)(=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C13H16FNO4S/c14-11-6-4-10(5-7-11)9-20(18,19)15-8-2-1-3-12(15)13(16)17/h4-7,12H,1-3,8-9H2,(H,16,17)