1-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-(3,4-difluorophenyl)sulfanylacetyl]piperidine-2-carboxylic acid CAS Name: 1-[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-(3,4-difluorophenyl)sulfanylacetyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-[(3,4-difluorophenyl)thio]acetyl]pipecolinic acid Formula: C14H15F2NO3S MolecularWeight: 315.335606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)CSC2=CC(=C(C=C2)F)F

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)CSC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C14H15F2NO3S/c15-10-5-4-9(7-11(10)16)21-8-13(18)17-6-2-1-3-12(17)14(19)20/h4-5,7,12H,1-3,6,8H2,(H,19,20)