N-[4-(azepan-1-yl)phenyl]-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-(diethylsulfamoyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H38N5O3S+ MolecularWeight: 452.63382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N5O3S/c1-3-26(4-2)31(29,30)27-17-15-24(16-18-27)19-22(28)23-20-9-11-21(12-10-20)25-13-7-5-6-8-14-25/h9-12H,3-8,13-19H2,1-2H3,(H,23,28)/p+1