N-[3-[(2,5-dimethylphenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[(2,5-dimethylphenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(2,5-dimethylanilino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C22H18N6O2S2 MolecularWeight: 462.54732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H18N6O2S2/c1-13-10-11-14(2)18(12-13)25-21-22(24-16-7-4-3-6-15(16)23-21)28-32(29,30)19-9-5-8-17-20(19)27-31-26-17/h3-12H,1-2H3,(H,23,25)(H,24,28)