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

Systemtic Name: N-[3-(heptylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(heptylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(heptylamino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(heptylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(heptylamino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C21H24N6O2S2 MolecularWeight: 456.58426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCCCCCCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H24N6O2S2/c1-2-3-4-5-8-14-22-20-21(24-16-11-7-6-10-15(16)23-20)27-31(28,29)18-13-9-12-17-19(18)26-30-25-17/h6-7,9-13H,2-5,8,14H2,1H3,(H,22,23)(H,24,27)