2-[4-(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(2-fluoro-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(2-fluoro-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C20H24F2N3O5S+ MolecularWeight: 456.483466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)F

Isomeric SMILES

COC1=CC(=C(C=C1OC)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)F

InChI

InChI=1S/C20H23F2N3O5S/c1-29-17-11-16(22)19(12-18(17)30-2)31(27,28)25-9-7-24(8-10-25)13-20(26)23-15-5-3-14(21)4-6-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)/p+1