2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-bromanyl-benzoic acid

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-bromanyl-benzoic acid Openeye Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-bromo-benzoic acid CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-bromobenzoic acid IUPAC Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-bromobenzoic acid Traditional Name: 5-bromo-2-(piazthiol-4-ylsulfonylamino)benzoic acid Formula: C13H8BrN3O4S2 MolecularWeight: 414.25432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C13H8BrN3O4S2/c14-7-4-5-9(8(6-7)13(18)19)17-23(20,21)11-3-1-2-10-12(11)16-22-15-10/h1-6,17H,(H,18,19)