1-[[3-[bis(fluoranyl)methyl]-2-bromanyl-5-fluoranyl-phenyl]sulfonylmethyl]pyrimidin-1-ium-2-amine

Systemtic Name: 1-[[3-[bis(fluoranyl)methyl]-2-bromanyl-5-fluoranyl-phenyl]sulfonylmethyl]pyrimidin-1-ium-2-amine Openeye Name: 1-[[2-bromo-3-(difluoromethyl)-5-fluoro-phenyl]sulfonylmethyl]pyrimidin-1-ium-2-amine CAS Name: 1-[[2-bromo-3-(difluoromethyl)-5-fluorophenyl]sulfonylmethyl]-2-pyrimidin-1-iumamine IUPAC Name: 1-[[2-bromo-3-(difluoromethyl)-5-fluorophenyl]sulfonylmethyl]pyrimidin-1-ium-2-amine Traditional Name: [1-[[2-bromo-3-(difluoromethyl)-5-fluoro-phenyl]sulfonylmethyl]pyrimidin-1-ium-2-yl]amine Formula: C12H10BrF3N3O2S+ MolecularWeight: 397.19091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C([N+](=C1)CS(=O)(=O)C2=C(C(=CC(=C2)F)C(F)F)Br)N

Isomeric SMILES

C1=CN=C([N+](=C1)CS(=O)(=O)C2=C(C(=CC(=C2)F)C(F)F)Br)N

InChI

InChI=1S/C12H9BrF3N3O2S/c13-10-8(11(15)16)4-7(14)5-9(10)22(20,21)6-19-3-1-2-18-12(19)17/h1-5,11,17H,6H2/p+1