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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrFNO5S/c13-6-3-8(12(17)18)11(14)9(4-6)21(19,20)5-10(16)15-7-1-2-7/h3-4,7H,1-2,5H2,(H,15,16)(H,17,18)