3-[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-4-bromanyl-benzoic acid

Systemtic Name: 3-[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-4-bromanyl-benzoic acid Openeye Name: 4-bromo-3-(1-methyl-2-oxo-2-ureido-ethyl)sulfonyl-benzoic acid CAS Name: 4-bromo-3-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 4-bromo-3-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 4-bromo-3-(2-keto-1-methyl-2-ureido-ethyl)sulfonyl-benzoic acid Formula: C11H11BrN2O6S MolecularWeight: 379.18384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Br

Isomeric SMILES

CC(C(=O)NC(=O)N)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Br

InChI

InChI=1S/C11H11BrN2O6S/c1-5(9(15)14-11(13)18)21(19,20)8-4-6(10(16)17)2-3-7(8)12/h2-5H,1H3,(H,16,17)(H3,13,14,15,18)