2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]acetamide Formula: C25H41N4O4S+ MolecularWeight: 493.68244

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C25H40N4O4S/c1-4-29(5-2)34(32,33)22-11-10-20(3)23(18-22)26-24(30)19-27-16-12-21(13-17-27)25(31)28-14-8-6-7-9-15-28/h10-11,18,21H,4-9,12-17,19H2,1-3H3,(H,26,30)/p+1