2-(azepan-1-ium-1-yl)-N-[2-(diethylamino)-5-sulfamoyl-phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[2-(diethylamino)-5-sulfamoyl-phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[2-(diethylamino)-5-sulfamoyl-phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-(diethylamino)-5-sulfamoylphenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[2-(diethylamino)-5-sulfamoylphenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[2-(diethylamino)-5-sulfamoyl-phenyl]acetamide Formula: C18H31N4O3S+ MolecularWeight: 383.52874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O3S/c1-3-22(4-2)17-10-9-15(26(19,24)25)13-16(17)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)(H2,19,24,25)/p+1