3-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]amino]butanoic acid

Systemtic Name: 3-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]amino]butanoic acid Openeye Name: 3-[4-(difluoromethylsulfonyl)anilino]butanoic acid CAS Name: 3-[4-(difluoromethylsulfonyl)anilino]butanoic acid IUPAC Name: 3-[4-(difluoromethylsulfonyl)anilino]butanoic acid Traditional Name: 3-[4-(difluoromethylsulfonyl)anilino]butyric acid Formula: C11H13F2NO4S MolecularWeight: 293.287026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13F2NO4S/c1-7(6-10(15)16)14-8-2-4-9(5-3-8)19(17,18)11(12)13/h2-5,7,11,14H,6H2,1H3,(H,15,16)