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

Systemtic Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-methyl-3-(methylsulfamoyl)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=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3C)S(=O)(=O)NC

InChI

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