2-[[3-(4-bromophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-butyl-ethanamide

Systemtic Name: 2-[[3-(4-bromophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[[3-(4-bromophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[3-(4-bromophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]thio]-N-butylacetamide IUPAC Name: 2-[[3-(4-bromophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[(3-brosyl-1H-benzimidazol-3-ium-2-yl)thio]-N-butyl-acetamide Formula: C19H21BrN3O3S2+ MolecularWeight: 483.42234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=[N+](C2=CC=CC=C2N1)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCNC(=O)CSC1=[N+](C2=CC=CC=C2N1)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3O3S2/c1-2-3-12-21-18(24)13-27-19-22-16-6-4-5-7-17(16)23(19)28(25,26)15-10-8-14(20)9-11-15/h4-11H,2-3,12-13H2,1H3,(H,21,24)/p+1