N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]acetamide CAS Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]acetamide Formula: C25H37N4O3S+ MolecularWeight: 473.65128

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H36N4O3S/c1-4-29(5-2)33(31,32)23-13-12-21(3)24(18-23)26-25(30)20-28-15-9-14-27(16-17-28)19-22-10-7-6-8-11-22/h6-8,10-13,18H,4-5,9,14-17,19-20H2,1-3H3,(H,26,30)/p+1