2-(azocan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]acetamide Formula: C21H36N3O4S+ MolecularWeight: 426.59324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCCCCCC2)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCCCCCC2)OCC

InChI

InChI=1S/C21H35N3O4S/c1-4-24(5-2)29(26,27)20-16-18(12-13-19(20)28-6-3)22-21(25)17-23-14-10-8-7-9-11-15-23/h12-13,16H,4-11,14-15,17H2,1-3H3,(H,22,25)/p+1