2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-bromanyl-phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-bromanyl-phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-bromo-benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-bromophenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-bromobenzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-bromo-2-(piazthiol-4-ylsulfonylamino)benzoyl]amino]-3-phenyl-propionic acid Formula: C22H17BrN4O5S2 MolecularWeight: 561.42818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN4O5S2/c23-14-9-10-15(21(28)24-18(22(29)30)11-13-5-2-1-3-6-13)17(12-14)27-34(31,32)19-8-4-7-16-20(19)26-33-25-16/h1-10,12,18,27H,11H2,(H,24,28)(H,29,30)