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

Systemtic Name: 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate Openeye Name: 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate CAS Name: 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-quinoxalinyl]amino]benzoate IUPAC Name: 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate Traditional Name: 4-[[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=C(C=C5)C(=O)[O-]

Isomeric SMILES

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

InChI

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