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

Systemtic Name: N-[3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(3,5-dimethoxyanilino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C22H18N6O4S2 MolecularWeight: 494.54612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54)OC

InChI

InChI=1S/C22H18N6O4S2/c1-31-14-10-13(11-15(12-14)32-2)23-21-22(25-17-7-4-3-6-16(17)24-21)28-34(29,30)19-9-5-8-18-20(19)27-33-26-18/h3-12H,1-2H3,(H,23,24)(H,25,28)