5-bromanyl-2-fluoranyl-3-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 3-[2-(allylamino)-2-oxo-ethyl]sulfonyl-5-bromo-2-fluoro-benzoic acid CAS Name: 5-bromo-2-fluoro-3-[2-oxo-2-(prop-2-enylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 5-bromo-2-fluoro-3-[2-oxo-2-(prop-2-enylamino)ethyl]sulfonylbenzoic acid Traditional Name: 3-[2-(allylamino)-2-keto-ethyl]sulfonyl-5-bromo-2-fluoro-benzoic acid Formula: C12H11BrFNO5S MolecularWeight: 380.186843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrFNO5S/c1-2-3-15-10(16)6-21(19,20)9-5-7(13)4-8(11(9)14)12(17)18/h2,4-5H,1,3,6H2,(H,15,16)(H,17,18)