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

Systemtic Name: 3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1-oxo-3-phenylpropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[[3-phenyl-2-(piazthiol-4-ylsulfonylamino)propanoyl]amino]benzoic acid Formula: C23H20N4O5S2 MolecularWeight: 496.5587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C23H20N4O5S2/c1-14-10-11-16(23(29)30)13-18(14)24-22(28)19(12-15-6-3-2-4-7-15)27-34(31,32)20-9-5-8-17-21(20)26-33-25-17/h2-11,13,19,27H,12H2,1H3,(H,24,28)(H,29,30)