86D

3-({(1S)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)-5-fluorobenzonitrile


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Chemical Component Summary

Name3-({(1S)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)-5-fluorobenzonitrile
Identifiers3-[[(1~{S})-7-[bis(fluoranyl)methylsulfonyl]-2,2-bis(fluoranyl)-1-oxidanyl-1,3-dihydroinden-4-yl]oxy]-5-fluoranyl-benzenecarbonitrile
FormulaC17 H10 F5 N O4 S
Molecular Weight419.323
TypeNON-POLYMER
Isomeric SMILESc1cc(c2c(c1Oc3cc(cc(c3)F)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)F
InChIInChI=1S/C17H10F5NO4S/c18-9-3-8(7-23)4-10(5-9)27-12-1-2-13(28(25,26)16(19)20)14-11(12)6-17(21,22)15(14)24/h1-5,15-16,24H,6H2/t15-/m0/s1
InChIKeyMXUSGDMIHGLCNC-HNNXBMFYSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count1
Bond Count40
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL4165848
PubChem 91663289
ChEMBL CHEMBL4165848