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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-(diethylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-(diethylsulfamoyl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-(diethylsulfamoyl)phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-(diethylsulfamoyl)phenyl]acetamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-3-21(4-2)25(23,24)17-11-9-16(10-12-17)19-18(22)15-20-13-7-5-6-8-14-20/h9-12H,3-8,13-15H2,1-2H3,(H,19,22)/p+1