N-[3-[(4-bromanyl-2-fluoranyl-phenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[(4-bromanyl-2-fluoranyl-phenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(4-bromo-2-fluoro-anilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(4-bromo-2-fluoroanilino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(4-bromo-2-fluoroanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(4-bromo-2-fluoro-anilino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C20H12BrFN6O2S2 MolecularWeight: 531.380683

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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=C(C=C(C=C5)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NSN=C43)NC5=C(C=C(C=C5)Br)F

InChI

InChI=1S/C20H12BrFN6O2S2/c21-11-8-9-13(12(22)10-11)23-19-20(25-15-5-2-1-4-14(15)24-19)28-32(29,30)17-7-3-6-16-18(17)27-31-26-16/h1-10H,(H,23,24)(H,25,28)