N-(1-adamantyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[2-(methylsulfonylmethyl)-1-benzimidazolyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[2-(mesylmethyl)benzimidazol-1-yl]acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=NC2=CC=CC=C2N1CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)CC1=NC2=CC=CC=C2N1CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3O3S/c1-28(26,27)13-19-22-17-4-2-3-5-18(17)24(19)12-20(25)23-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-13H2,1H3,(H,23,25)