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

Systemtic Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28FN4O3S+ MolecularWeight: 435.535423

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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=C3F)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H27FN4O3S/c1-16-8-9-17(14-20(16)30(28,29)24(2)3)23-21(27)15-25-10-12-26(13-11-25)19-7-5-4-6-18(19)22/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)/p+1