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

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H28N4O3S/c1-17-7-4-5-10-20(17)25-13-11-24(12-14-25)16-21(26)22-18-8-6-9-19(15-18)29(27,28)23(2)3/h4-10,15H,11-14,16H2,1-3H3,(H,22,26)/p+1