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

Systemtic Name: 1-butyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(3-methyl-2-quinoxalinyl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(3-methylquinoxalin-2-yl)methylthio]benzimidazole-5-sulfonamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S2/c1-3-4-11-26-20-10-9-15(30(22,27)28)12-18(20)25-21(26)29-13-19-14(2)23-16-7-5-6-8-17(16)24-19/h5-10,12H,3-4,11,13H2,1-2H3,(H2,22,27,28)