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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCSC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCSC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C15H18FNO3S/c16-12-3-5-13(6-4-12)21-9-7-14(18)17-8-1-2-11(10-17)15(19)20/h3-6,11H,1-2,7-10H2,(H,19,20)