4-[(5-bromanylpyridin-2-yl)amino]-4-oxidanylidene-2-[[4-(2-sulfamoylphenyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-[(5-bromanylpyridin-2-yl)amino]-4-oxidanylidene-2-[[4-(2-sulfamoylphenyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-[(5-bromo-2-pyridyl)amino]-4-oxo-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanoic acid CAS Name: 4-[(5-bromo-2-pyridinyl)amino]-4-oxo-2-[[oxo-[4-(2-sulfamoylphenyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-[(5-bromopyridin-2-yl)amino]-4-oxo-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanoic acid Traditional Name: 4-[(5-bromo-2-pyridyl)amino]-4-keto-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butyric acid Formula: C22H19BrN4O6S MolecularWeight: 547.37846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NC(CC(=O)NC3=NC=C(C=C3)Br)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NC(CC(=O)NC3=NC=C(C=C3)Br)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C22H19BrN4O6S/c23-15-9-10-19(25-12-15)27-20(28)11-17(22(30)31)26-21(29)14-7-5-13(6-8-14)16-3-1-2-4-18(16)34(24,32)33/h1-10,12,17H,11H2,(H,26,29)(H,30,31)(H2,24,32,33)(H,25,27,28)