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

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-ylamino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C21H14N6O4S2 MolecularWeight: 478.50366

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC6=NSN=C65

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC6=NSN=C65

InChI

InChI=1S/C21H14N6O4S2/c28-33(29,18-7-3-6-15-19(18)26-32-25-15)27-21-20(23-13-4-1-2-5-14(13)24-21)22-12-8-9-16-17(10-12)31-11-30-16/h1-10H,11H2,(H,22,23)(H,24,27)