3-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate

Systemtic Name: 3-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate Openeye Name: 3-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate CAS Name: 3-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-quinoxalinyl]amino]benzoate IUPAC Name: 3-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate Traditional Name: 3-[[3-(piazthiol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate Formula: C21H13N6O4S2- MolecularWeight: 477.49572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NSN=C43)NC5=CC=CC(=C5)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NSN=C43)NC5=CC=CC(=C5)C(=O)[O-]

InChI

InChI=1S/C21H14N6O4S2/c28-21(29)12-5-3-6-13(11-12)22-19-20(24-15-8-2-1-7-14(15)23-19)27-33(30,31)17-10-4-9-16-18(17)26-32-25-16/h1-11H,(H,22,23)(H,24,27)(H,28,29)/p-1