2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)C)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)C)F)C

InChI

InChI=1S/C21H26FN3O3S/c1-15-5-7-20(17(3)12-15)29(27,28)25-10-8-24(9-11-25)14-21(26)23-19-6-4-16(2)13-18(19)22/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)/p+1