5-bromanyl-2-[[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-(1H-1,2,4-triazol-5-ylsulfamoyl)benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[oxo-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-(1H-1,2,4-triazol-5-ylsulfamoyl)benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-(1H-1,2,4-triazol-5-ylsulfamoyl)benzoyl]amino]benzoic acid Formula: C16H12BrN5O5S MolecularWeight: 466.26598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)Br)C(=O)O)S(=O)(=O)NC3=NC=NN3

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)Br)C(=O)O)S(=O)(=O)NC3=NC=NN3

InChI

InChI=1S/C16H12BrN5O5S/c17-10-3-6-13(12(7-10)15(24)25)20-14(23)9-1-4-11(5-2-9)28(26,27)22-16-18-8-19-21-16/h1-8H,(H,20,23)(H,24,25)(H2,18,19,21,22)