2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-methylsulfonylphenyl)ethanamide Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-methylsulfonylphenyl)acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-N-(2-methylsulfonylphenyl)acetamide IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-methylsulfonylphenyl)acetamide Traditional Name: N-(2-mesylphenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NC3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NC3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C22H28N2O4S/c1-28-18-13-11-17(12-14-18)20-9-4-3-7-15-24(20)16-22(25)23-19-8-5-6-10-21(19)29(2,26)27/h5-6,8,10-14,20H,3-4,7,9,15-16H2,1-2H3,(H,23,25)/p+1/t20-/m1/s1