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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)CC2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C13H16FNO4S/c14-12-3-1-10(2-4-12)9-20(18,19)15-7-5-11(6-8-15)13(16)17/h1-4,11H,5-9H2,(H,16,17)