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

Systemtic Name: N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(3,5-dimethyl-1-pyridin-1-iumyl)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C21H17N6O2S2+ MolecularWeight: 449.52868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54)C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54)C

InChI

InChI=1S/C21H17N6O2S2/c1-13-10-14(2)12-27(11-13)21-20(22-15-6-3-4-7-16(15)23-21)26-31(28,29)18-9-5-8-17-19(18)25-30-24-17/h3-12H,1-2H3,(H,22,26)/q+1