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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC(=C(C=C2)F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=CC(=C(C=C2)F)F)C(=O)O

InChI

InChI=1S/C14H15F2NO3S/c15-11-4-3-10(6-12(11)16)21-8-13(18)17-5-1-2-9(7-17)14(19)20/h3-4,6,9H,1-2,5,7-8H2,(H,19,20)