1-butyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C17H20N4O3S2 MolecularWeight: 392.4957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H20N4O3S2/c1-2-3-9-20-15-8-7-13(26(18,23)24)11-14(15)19-16(20)12-25-17-6-4-5-10-21(17)22/h4-8,10-11H,2-3,9,12H2,1H3,(H2,18,23,24)