N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-[4-(m-tolylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[4-[(3-methylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-[4-(3-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(=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC(=C3)C

InChI

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