2-(azepan-1-ium-1-yl)-N-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide Formula: C16H25ClN3O3S+ MolecularWeight: 374.906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCCCCC2)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCCCCC2)Cl

InChI

InChI=1S/C16H24ClN3O3S/c1-19(2)24(22,23)15-11-13(7-8-14(15)17)18-16(21)12-20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,21)/p+1