6-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 6-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 6-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2,3-dihydro-1,4-benzodioxin-7-carboxylate IUPAC Name: 6-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-(piazthiol-4-ylsulfonylamino)-2,3-dihydro-1,4-benzodioxin-7-carboxylate Formula: C15H10N3O6S2- MolecularWeight: 392.3864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43)C(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43)C(=O)[O-]

InChI

InChI=1S/C15H11N3O6S2/c19-15(20)8-6-11-12(24-5-4-23-11)7-10(8)18-26(21,22)13-3-1-2-9-14(13)17-25-16-9/h1-3,6-7,18H,4-5H2,(H,19,20)/p-1