[5-methoxy-2-(phenylcarbonyl)phenyl] 2,1,3-benzothiadiazole-4-sulfonate

Systemtic Name: [5-methoxy-2-(phenylcarbonyl)phenyl] 2,1,3-benzothiadiazole-4-sulfonate Openeye Name: (2-benzoyl-5-methoxy-phenyl) 2,1,3-benzothiadiazole-4-sulfonate CAS Name: 2,1,3-benzothiadiazole-4-sulfonic acid (2-benzoyl-5-methoxyphenyl) ester IUPAC Name: (2-benzoyl-5-methoxyphenyl) 2,1,3-benzothiadiazole-4-sulfonate Traditional Name: piazthiole-4-sulfonic acid (2-benzoyl-5-methoxy-phenyl) ester Formula: C20H14N2O5S2 MolecularWeight: 426.46556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H14N2O5S2/c1-26-14-10-11-15(20(23)13-6-3-2-4-7-13)17(12-14)27-29(24,25)18-9-5-8-16-19(18)22-28-21-16/h2-12H,1H3