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

Systemtic Name: N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(p-tolylmethylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-[(4-methylphenyl)methylamino]-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-[(4-methylbenzyl)amino]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)CNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H18N6O2S2/c1-14-9-11-15(12-10-14)13-23-21-22(25-17-6-3-2-5-16(17)24-21)28-32(29,30)19-8-4-7-18-20(19)27-31-26-18/h2-12H,13H2,1H3,(H,23,24)(H,25,28)