1-(azepan-1-yl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(2-methylsulfonyl-1-benzimidazolyl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(2-mesylbenzimidazol-1-yl)ethanone Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC2=CC=CC=C2N1CC(=O)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=NC2=CC=CC=C2N1CC(=O)N3CCCCCC3

InChI

InChI=1S/C16H21N3O3S/c1-23(21,22)16-17-13-8-4-5-9-14(13)19(16)12-15(20)18-10-6-2-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3