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

Systemtic Name: N-[3-[(2-methoxyphenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-[(2-methoxyphenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-[(2-methoxyphenyl)methylamino]-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-[(2-methoxyphenyl)methylamino]quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(o-anisylamino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C22H18N6O3S2 MolecularWeight: 478.54672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H18N6O3S2/c1-31-18-11-5-2-7-14(18)13-23-21-22(25-16-9-4-3-8-15(16)24-21)28-33(29,30)19-12-6-10-17-20(19)27-32-26-17/h2-12H,13H2,1H3,(H,23,24)(H,25,28)