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

Systemtic Name: 3-cyclohexyl-2-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 3-cyclohexyl-2-[3-(4-nitrophenyl)sulfonylallylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 3-cyclohexyl-2-[3-(4-nitrophenyl)sulfonylprop-2-enylthio]-1H-benzimidazol-3-ium IUPAC Name: 3-cyclohexyl-2-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 3-cyclohexyl-2-(3-nosylallylthio)-1H-benzimidazol-3-ium Formula: C22H24N3O4S2+ MolecularWeight: 458.57366

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S2/c26-25(27)18-11-13-19(14-12-18)31(28,29)16-6-15-30-22-23-20-9-4-5-10-21(20)24(22)17-7-2-1-3-8-17/h4-6,9-14,16-17H,1-3,7-8,15H2/p+1