3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylpropanoyl]amino]benzoic acid Traditional Name: 3-[[3-phenyl-2-(piazthiol-4-ylsulfonylamino)propanoyl]amino]benzoic acid Formula: C22H18N4O5S2 MolecularWeight: 482.53212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC(=C2)C(=O)O)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC(=C2)C(=O)O)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C22H18N4O5S2/c27-21(23-16-9-4-8-15(13-16)22(28)29)18(12-14-6-2-1-3-7-14)26-33(30,31)19-11-5-10-17-20(19)25-32-24-17/h1-11,13,18,26H,12H2,(H,23,27)(H,28,29)