3-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfonyl-2,6-bis(fluoranyl)benzoic acid

Systemtic Name: 3-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfonyl-2,6-bis(fluoranyl)benzoic acid Openeye Name: 3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-2,6-difluoro-benzoic acid CAS Name: 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2,6-difluorobenzoic acid IUPAC Name: 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2,6-difluorobenzoic acid Traditional Name: 3-[2-(cyclopropylamino)-2-keto-ethyl]sulfonyl-2,6-difluoro-benzoic acid Formula: C12H11F2NO5S MolecularWeight: 319.281246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CS(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)O)F

Isomeric SMILES

C1CC1NC(=O)CS(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)O)F

InChI

InChI=1S/C12H11F2NO5S/c13-7-3-4-8(11(14)10(7)12(17)18)21(19,20)5-9(16)15-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)(H,17,18)