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

Systemtic Name: 4-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[4-(difluoromethylsulfonyl)benzoyl]amino]butanoic acid CAS Name: 4-[[[4-(difluoromethylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[4-(difluoromethylsulfonyl)benzoyl]amino]butanoic acid Traditional Name: 4-[[4-(difluoromethylsulfonyl)benzoyl]amino]butyric acid Formula: C12H13F2NO5S MolecularWeight: 321.297126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCC(=O)O)S(=O)(=O)C(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCC(=O)O)S(=O)(=O)C(F)F

InChI

InChI=1S/C12H13F2NO5S/c13-12(14)21(19,20)9-5-3-8(4-6-9)11(18)15-7-1-2-10(16)17/h3-6,12H,1-2,7H2,(H,15,18)(H,16,17)