2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4,5-dimethoxy-benzoate Openeye Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4,5-dimethoxybenzoate IUPAC Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4,5-dimethoxybenzoate Traditional Name: 4,5-dimethoxy-2-(piazthiol-4-ylsulfonylamino)benzoate Formula: C15H12N3O6S2- MolecularWeight: 394.40228

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)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])NS(=O)(=O)C2=CC=CC3=NSN=C32)OC

InChI

InChI=1S/C15H13N3O6S2/c1-23-11-6-8(15(19)20)10(7-12(11)24-2)18-26(21,22)13-5-3-4-9-14(13)17-25-16-9/h3-7,18H,1-2H3,(H,19,20)/p-1