1-butyl-N,N-dimethyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-N,N-dimethyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-N,N-dimethyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-N,N-dimethyl-2-[(3-methyl-2-quinoxalinyl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-N,N-dimethyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-N,N-dimethyl-2-[(3-methylquinoxalin-2-yl)methylthio]benzimidazole-5-sulfonamide Formula: C23H27N5O2S2 MolecularWeight: 469.62278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SCC3=NC4=CC=CC=C4N=C3C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SCC3=NC4=CC=CC=C4N=C3C

InChI

InChI=1S/C23H27N5O2S2/c1-5-6-13-28-22-12-11-17(32(29,30)27(3)4)14-20(22)26-23(28)31-15-21-16(2)24-18-9-7-8-10-19(18)25-21/h7-12,14H,5-6,13,15H2,1-4H3