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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)O)F

Isomeric SMILES

C=CCNC(=O)CS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)O)F

InChI

InChI=1S/C12H11F2NO5S/c1-2-5-15-9(16)6-21(19,20)8-4-3-7(13)10(11(8)14)12(17)18/h2-4H,1,5-6H2,(H,15,16)(H,17,18)