N-[3-[(4-fluorophenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[(4-fluorophenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-[(4-fluorophenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-[(4-fluorophenyl)methylamino]-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-[(4-fluorophenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-[(4-fluorobenzyl)amino]quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C21H15FN6O2S2 MolecularWeight: 466.511203

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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)NCC5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NSN=C43)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C21H15FN6O2S2/c22-14-10-8-13(9-11-14)12-23-20-21(25-16-5-2-1-4-15(16)24-20)28-32(29,30)18-7-3-6-17-19(18)27-31-26-17/h1-11H,12H2,(H,23,24)(H,25,28)