N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[3-(1-azepanylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N4O4S/c1-17(25)23-13-11-22(12-14-23)16-20(26)21-18-7-6-8-19(15-18)29(27,28)24-9-4-2-3-5-10-24/h6-8,15H,2-5,9-14,16H2,1H3,(H,21,26)/p+1