2-(azepan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]acetamide Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O3S/c1-4-22(5-2)26(24,25)18-14-17(11-10-16(18)3)20-19(23)15-21-12-8-6-7-9-13-21/h10-11,14H,4-9,12-13,15H2,1-3H3,(H,20,23)/p+1