7-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-(piazthiol-4-ylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C16H13N3O6S2 MolecularWeight: 407.42092

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)O)NS(=O)(=O)C3=CC=CC4=NSN=C43)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)O)NS(=O)(=O)C3=CC=CC4=NSN=C43)OC1

InChI

InChI=1S/C16H13N3O6S2/c20-16(21)9-7-12-13(25-6-2-5-24-12)8-11(9)19-27(22,23)14-4-1-3-10-15(14)18-26-17-10/h1,3-4,7-8,19H,2,5-6H2,(H,20,21)