3-cyclohexyl-2-[3-(phenylsulfonyl)prop-2-enylsulfanyl]-1H-benzimidazol-3-ium

Systemtic Name: 3-cyclohexyl-2-[3-(phenylsulfonyl)prop-2-enylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 2-[3-(benzenesulfonyl)allylsulfanyl]-3-cyclohexyl-1H-benzimidazol-3-ium CAS Name: 2-[3-(benzenesulfonyl)prop-2-enylthio]-3-cyclohexyl-1H-benzimidazol-3-ium IUPAC Name: 2-[3-(benzenesulfonyl)prop-2-enylsulfanyl]-3-cyclohexyl-1H-benzimidazol-3-ium Traditional Name: 2-(3-besylallylthio)-3-cyclohexyl-1H-benzimidazol-3-ium Formula: C22H25N2O2S2+ MolecularWeight: 413.5761

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2=C(NC3=CC=CC=C32)SCC=CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[N+]2=C(NC3=CC=CC=C32)SCC=CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O2S2/c25-28(26,19-12-5-2-6-13-19)17-9-16-27-22-23-20-14-7-8-15-21(20)24(22)18-10-3-1-4-11-18/h2,5-9,12-15,17-18H,1,3-4,10-11,16H2/p+1