1-butyl-2-(quinolin-2-ylsulfanylmethyl)benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-(quinolin-2-ylsulfanylmethyl)benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-(2-quinolylsulfanylmethyl)benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(2-quinolinylthio)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-(quinolin-2-ylsulfanylmethyl)benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(2-quinolylthio)methyl]benzimidazole-5-sulfonamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22N4O2S2/c1-2-3-12-25-19-10-9-16(29(22,26)27)13-18(19)23-20(25)14-28-21-11-8-15-6-4-5-7-17(15)24-21/h4-11,13H,2-3,12,14H2,1H3,(H2,22,26,27)