3-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-phenyl-3-[5-(piazthiol-4-ylsulfonylamino)benzimidazol-1-yl]propionic acid Formula: C22H17N5O4S2 MolecularWeight: 479.53148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H17N5O4S2/c28-21(29)12-19(14-5-2-1-3-6-14)27-13-23-17-11-15(9-10-18(17)27)26-33(30,31)20-8-4-7-16-22(20)25-32-24-16/h1-11,13,19,26H,12H2,(H,28,29)