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

Systemtic Name: 3-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfonyl-2,6-bis(fluoranyl)benzoic acid Openeye Name: 3-[2-(cyanomethylamino)-2-oxo-ethyl]sulfonyl-2,6-difluoro-benzoic acid CAS Name: 3-[2-(cyanomethylamino)-2-oxoethyl]sulfonyl-2,6-difluorobenzoic acid IUPAC Name: 3-[2-(cyanomethylamino)-2-oxoethyl]sulfonyl-2,6-difluorobenzoic acid Traditional Name: 3-[2-(cyanomethylamino)-2-keto-ethyl]sulfonyl-2,6-difluoro-benzoic acid Formula: C11H8F2N2O5S MolecularWeight: 318.253426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)CC(=O)NCC#N

Isomeric SMILES

C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)CC(=O)NCC#N

InChI

InChI=1S/C11H8F2N2O5S/c12-6-1-2-7(10(13)9(6)11(17)18)21(19,20)5-8(16)15-4-3-14/h1-2H,4-5H2,(H,15,16)(H,17,18)