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

Systemtic Name: 2-[[3-(4-chlorophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[3-(4-chlorophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[3-(4-chlorophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[3-(4-chlorophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[3-(4-chlorophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]thio]-N-cyclohexyl-acetamide Formula: C21H23ClN3O3S2+ MolecularWeight: 465.00862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O3S2/c22-15-10-12-17(13-11-15)30(27,28)25-19-9-5-4-8-18(19)24-21(25)29-14-20(26)23-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14H2,(H,23,26)/p+1