3-cyclohexyl-2-[3-(4-methylphenyl)sulfonylprop-2-enylsulfanyl]-1H-benzimidazol-3-ium

Systemtic Name: 3-cyclohexyl-2-[3-(4-methylphenyl)sulfonylprop-2-enylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 3-cyclohexyl-2-[3-(p-tolylsulfonyl)allylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 3-cyclohexyl-2-[3-(4-methylphenyl)sulfonylprop-2-enylthio]-1H-benzimidazol-3-ium IUPAC Name: 3-cyclohexyl-2-[3-(4-methylphenyl)sulfonylprop-2-enylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 3-cyclohexyl-2-(3-tosylallylthio)-1H-benzimidazol-3-ium Formula: C23H27N2O2S2+ MolecularWeight: 427.60268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=CCSC2=[N+](C3=CC=CC=C3N2)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C=CCSC2=[N+](C3=CC=CC=C3N2)C4CCCCC4

InChI

InChI=1S/C23H26N2O2S2/c1-18-12-14-20(15-13-18)29(26,27)17-7-16-28-23-24-21-10-5-6-11-22(21)25(23)19-8-3-2-4-9-19/h5-7,10-15,17,19H,2-4,8-9,16H2,1H3/p+1