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

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloranyl-5-methoxy-benzoic acid Openeye Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-5-methoxy-benzoic acid CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-5-methoxybenzoic acid IUPAC Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-5-methoxybenzoic acid Traditional Name: 4-chloro-5-methoxy-2-(piazthiol-4-ylsulfonylamino)benzoic acid Formula: C14H10ClN3O5S2 MolecularWeight: 399.8293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC3=NSN=C32)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC3=NSN=C32)Cl

InChI

InChI=1S/C14H10ClN3O5S2/c1-23-11-5-7(14(19)20)10(6-8(11)15)18-25(21,22)12-4-2-3-9-13(12)17-24-16-9/h2-6,18H,1H3,(H,19,20)