1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid CAS Name: 1-[3-[(4-fluorophenyl)thio]-1-oxopropyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[3-[(4-fluorophenyl)thio]propanoyl]pipecolinic acid Formula: C15H18FNO3S MolecularWeight: 311.371723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C15H18FNO3S/c16-11-4-6-12(7-5-11)21-10-8-14(18)17-9-2-1-3-13(17)15(19)20/h4-7,13H,1-3,8-10H2,(H,19,20)