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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1=CC=CC=C1S(=O)(=O)C(F)F

Isomeric SMILES

CCCCC(C(=O)O)NC1=CC=CC=C1S(=O)(=O)C(F)F

InChI

InChI=1S/C13H17F2NO4S/c1-2-3-6-10(12(17)18)16-9-7-4-5-8-11(9)21(19,20)13(14)15/h4-5,7-8,10,13,16H,2-3,6H2,1H3,(H,17,18)