N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H33N3O4S/c1-17-9-5-8-12-23(17)16-21(25)22-19-15-18(10-11-20(19)28-2)29(26,27)24-13-6-3-4-7-14-24/h10-11,15,17H,3-9,12-14,16H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1