2-(azepan-1-ium-1-yl)-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]acetamide Formula: C20H35N4O3S+ MolecularWeight: 411.5819

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)C)NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)C)NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C20H34N4O3S/c1-5-24(6-2)28(26,27)17-11-12-19(22(3)4)18(15-17)21-20(25)16-23-13-9-7-8-10-14-23/h11-12,15H,5-10,13-14,16H2,1-4H3,(H,21,25)/p+1