[3-[(phenylmethyl)carbamoyl]phenyl] 2,1,3-benzothiadiazole-4-sulfonate

Systemtic Name: [3-[(phenylmethyl)carbamoyl]phenyl] 2,1,3-benzothiadiazole-4-sulfonate Openeye Name: [3-(benzylcarbamoyl)phenyl] 2,1,3-benzothiadiazole-4-sulfonate CAS Name: 2,1,3-benzothiadiazole-4-sulfonic acid [3-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-(benzylcarbamoyl)phenyl] 2,1,3-benzothiadiazole-4-sulfonate Traditional Name: piazthiole-4-sulfonic acid [3-(benzylcarbamoyl)phenyl] ester Formula: C20H15N3O4S2 MolecularWeight: 425.4808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O4S2/c24-20(21-13-14-6-2-1-3-7-14)15-8-4-9-16(12-15)27-29(25,26)18-11-5-10-17-19(18)23-28-22-17/h1-12H,13H2,(H,21,24)