6-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]hexanoic acid Openeye Name: 6-[[2-(difluoromethylsulfanyl)benzoyl]amino]hexanoic acid CAS Name: 6-[[[2-(difluoromethylthio)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(difluoromethylsulfanyl)benzoyl]amino]hexanoic acid Traditional Name: 6-[[2-(difluoromethylthio)benzoyl]amino]hexanoic acid Formula: C14H17F2NO3S MolecularWeight: 317.351486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCCCC(=O)O)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCCCC(=O)O)SC(F)F

InChI

InChI=1S/C14H17F2NO3S/c15-14(16)21-11-7-4-3-6-10(11)13(20)17-9-5-1-2-8-12(18)19/h3-4,6-7,14H,1-2,5,8-9H2,(H,17,20)(H,18,19)