6-[[2-[bis(fluoranyl)methylsulfonyl]phenyl]amino]hexanoic acid

Systemtic Name: 6-[[2-[bis(fluoranyl)methylsulfonyl]phenyl]amino]hexanoic acid Openeye Name: 6-[2-(difluoromethylsulfonyl)anilino]hexanoic acid CAS Name: 6-[2-(difluoromethylsulfonyl)anilino]hexanoic acid IUPAC Name: 6-[2-(difluoromethylsulfonyl)anilino]hexanoic acid Traditional Name: 6-[2-(difluoromethylsulfonyl)anilino]hexanoic acid Formula: C13H17F2NO4S MolecularWeight: 321.340186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17F2NO4S/c14-13(15)21(19,20)11-7-4-3-6-10(11)16-9-5-1-2-8-12(17)18/h3-4,6-7,13,16H,1-2,5,8-9H2,(H,17,18)