2-bromanyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylsulfamoyl)benzoic acid

Systemtic Name: 2-bromanyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylsulfamoyl)benzoic acid Openeye Name: 2-bromo-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylsulfamoyl)benzoic acid CAS Name: 2-bromo-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylsulfamoyl)benzoic acid IUPAC Name: 2-bromo-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylsulfamoyl)benzoic acid Traditional Name: 2-bromo-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylsulfamoyl)benzoic acid Formula: C14H11BrN4O4S MolecularWeight: 411.23054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN=C(N2C=C1)CNS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC2=NN=C(N2C=C1)CNS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C14H11BrN4O4S/c15-11-5-4-9(7-10(11)14(20)21)24(22,23)16-8-13-18-17-12-3-1-2-6-19(12)13/h1-7,16H,8H2,(H,20,21)