2-[(2-methylphenyl)-methylsulfonyl-amino]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[(2-methylphenyl)-methylsulfonyl-amino]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-anilino)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonylanilino)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonylanilino)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-anilino)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NCC2(CCCCC2)[NH+]3CCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NCC2(CCCCC2)[NH+]3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C22H35N3O3S/c1-19-11-5-6-12-20(19)25(29(2,27)28)17-21(26)23-18-22(13-7-3-8-14-22)24-15-9-4-10-16-24/h5-6,11-12H,3-4,7-10,13-18H2,1-2H3,(H,23,26)/p+1