N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-[4-(o-tolylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-[4-(2-methylbenzyl)piperazin-1-ium-1-yl]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)C[NH+]2CCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C25H36N4O3S/c1-5-29(6-2)33(31,32)23-12-11-21(4)24(17-23)26-25(30)19-28-15-13-27(14-16-28)18-22-10-8-7-9-20(22)3/h7-12,17H,5-6,13-16,18-19H2,1-4H3,(H,26,30)/p+1