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

Systemtic Name: 3-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfonyl-5-bromanyl-2-fluoranyl-benzoic acid Openeye Name: 5-bromo-2-fluoro-3-(2-oxo-2-ureido-ethyl)sulfonyl-benzoic acid CAS Name: 5-bromo-3-[2-(carbamoylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid IUPAC Name: 5-bromo-3-[2-(carbamoylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid Traditional Name: 5-bromo-2-fluoro-3-(2-keto-2-ureido-ethyl)sulfonyl-benzoic acid Formula: C10H8BrFN2O6S MolecularWeight: 383.147723

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)CC(=O)NC(=O)N)F)C(=O)O)Br

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)CC(=O)NC(=O)N)F)C(=O)O)Br

InChI

InChI=1S/C10H8BrFN2O6S/c11-4-1-5(9(16)17)8(12)6(2-4)21(19,20)3-7(15)14-10(13)18/h1-2H,3H2,(H,16,17)(H3,13,14,15,18)