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

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-methoxy-4-(2-methoxyethoxy)benzoic acid Openeye Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-methoxy-4-(2-methoxyethoxy)benzoic acid CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-methoxy-4-(2-methoxyethoxy)benzoic acid IUPAC Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-methoxy-4-(2-methoxyethoxy)benzoic acid Traditional Name: 5-methoxy-4-(2-methoxyethoxy)-2-(piazthiol-4-ylsulfonylamino)benzoic acid Formula: C17H17N3O7S2 MolecularWeight: 439.46278

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)O)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)O)OC

InChI

InChI=1S/C17H17N3O7S2/c1-25-6-7-27-14-9-12(10(17(21)22)8-13(14)26-2)20-29(23,24)15-5-3-4-11-16(15)19-28-18-11/h3-5,8-9,20H,6-7H2,1-2H3,(H,21,22)