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

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-benzoic acid Openeye Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-benzoic acid CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-(methylthio)benzoic acid IUPAC Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanylbenzoic acid Traditional Name: 4-(methylthio)-2-(piazthiol-4-ylsulfonylamino)benzoic acid Formula: C14H11N3O4S3 MolecularWeight: 381.44984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CSC1=CC(=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C14H11N3O4S3/c1-22-8-5-6-9(14(18)19)11(7-8)17-24(20,21)12-4-2-3-10-13(12)16-23-15-10/h2-7,17H,1H3,(H,18,19)