1-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]isonipecotic acid Formula: C15H16F3NO3S MolecularWeight: 347.35265

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H16F3NO3S/c16-15(17,18)11-2-1-3-12(8-11)23-9-13(20)19-6-4-10(5-7-19)14(21)22/h1-3,8,10H,4-7,9H2,(H,21,22)