N-(2-adamantyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-adamantyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(2-adamantyl)-2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetamide Traditional Name: N-(2-adamantyl)-2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C25H28N3O3S2+ MolecularWeight: 482.63812

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=[N+](C5=CC=CC=C5N4)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=[N+](C5=CC=CC=C5N4)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C25H27N3O3S2/c29-23(27-24-18-11-16-10-17(13-18)14-19(24)12-16)15-32-25-26-21-8-4-5-9-22(21)28(25)33(30,31)20-6-2-1-3-7-20/h1-9,16-19,24H,10-15H2,(H,27,29)/p+1