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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[2-chloranyl-5-(diethylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide Formula: C18H29ClN3O3S+ MolecularWeight: 402.95916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN3O3S/c1-3-22(4-2)26(24,25)15-9-10-16(19)17(13-15)20-18(23)14-21-11-7-5-6-8-12-21/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,20,23)/p+1