N-[2-[(4-cyanophenyl)methyl]-5-cyclohexyl-1-methyl-benzimidazol-1-ium-1-yl]methanesulfonamide

Systemtic Name: N-[2-[(4-cyanophenyl)methyl]-5-cyclohexyl-1-methyl-benzimidazol-1-ium-1-yl]methanesulfonamide Openeye Name: N-[2-[(4-cyanophenyl)methyl]-5-cyclohexyl-1-methyl-benzimidazol-1-ium-1-yl]methanesulfonamide CAS Name: N-[2-[(4-cyanophenyl)methyl]-5-cyclohexyl-1-methyl-1-benzimidazol-1-iumyl]methanesulfonamide IUPAC Name: N-[2-[(4-cyanophenyl)methyl]-5-cyclohexyl-1-methylbenzimidazol-1-ium-1-yl]methanesulfonamide Traditional Name: N-[2-(4-cyanobenzyl)-5-cyclohexyl-1-methyl-benzimidazol-1-ium-1-yl]methanesulfonamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=C(C=C2)C3CCCCC3)N=C1CC4=CC=C(C=C4)C#N)NS(=O)(=O)C

Isomeric SMILES

C[N+]1(C2=C(C=C(C=C2)C3CCCCC3)N=C1CC4=CC=C(C=C4)C#N)NS(=O)(=O)C

InChI

InChI=1S/C23H27N4O2S/c1-27(26-30(2,28)29)22-13-12-20(19-6-4-3-5-7-19)15-21(22)25-23(27)14-17-8-10-18(16-24)11-9-17/h8-13,15,19,26H,3-7,14H2,1-2H3/q+1