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

Systemtic Name: 3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-acetyl]amino]benzoic acid CAS Name: 3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetyl]amino]benzoic acid Traditional Name: 3-[[2-phenyl-2-(piazthiol-4-ylsulfonylamino)acetyl]amino]benzoic acid Formula: C21H16N4O5S2 MolecularWeight: 468.50554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O5S2/c26-20(22-15-9-4-8-14(12-15)21(27)28)18(13-6-2-1-3-7-13)25-32(29,30)17-11-5-10-16-19(17)24-31-23-16/h1-12,18,25H,(H,22,26)(H,27,28)