2-[[3,4-bis(fluoranyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(3,4-difluorobenzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(3,4-difluorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(3,4-difluorobenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(3,4-difluorobenzoyl)amino]-4-mesyl-butyric acid Formula: C12H13F2NO5S MolecularWeight: 321.297126

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC(=C(C=C1)F)F

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC(=C(C=C1)F)F

InChI

InChI=1S/C12H13F2NO5S/c1-21(19,20)5-4-10(12(17)18)15-11(16)7-2-3-8(13)9(14)6-7/h2-3,6,10H,4-5H2,1H3,(H,15,16)(H,17,18)