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

Systemtic Name: 5-bromanyl-2-fluoranyl-3-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 5-bromo-2-fluoro-3-[2-(isopropylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 5-bromo-2-fluoro-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 5-bromo-2-fluoro-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid Traditional Name: 5-bromo-2-fluoro-3-[2-(isopropylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C12H13BrFNO5S MolecularWeight: 382.202723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrFNO5S/c1-6(2)15-10(16)5-21(19,20)9-4-7(13)3-8(11(9)14)12(17)18/h3-4,6H,5H2,1-2H3,(H,15,16)(H,17,18)