2-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]amino]-2-methyl-pentanoic acid

Systemtic Name: 2-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]amino]-2-methyl-pentanoic acid Openeye Name: 2-[4-(difluoromethylsulfonyl)anilino]-2-methyl-pentanoic acid CAS Name: 2-[4-(difluoromethylsulfonyl)anilino]-2-methylpentanoic acid IUPAC Name: 2-[4-(difluoromethylsulfonyl)anilino]-2-methylpentanoic acid Traditional Name: 2-[4-(difluoromethylsulfonyl)anilino]-2-methyl-valeric acid Formula: C13H17F2NO4S MolecularWeight: 321.340186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC1=CC=C(C=C1)S(=O)(=O)C(F)F

Isomeric SMILES

CCCC(C)(C(=O)O)NC1=CC=C(C=C1)S(=O)(=O)C(F)F

InChI

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