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2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide


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Chemical Component Summary

Name2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
Identifiers2-[(2~{S})-4-(4-fluorophenyl)sulfonyl-7-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-2,3-dihydro-1,4-benzothiazin-2-yl]-~{N}-(2-methyl-2-oxidanyl-propyl)ethanamide
FormulaC23 H23 F7 N2 O5 S2
Molecular Weight604.558
TypeNON-POLYMER
Isomeric SMILESCC(C)(CNC(=O)C[C@H]1CN(c2ccc(cc2S1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(cc3)F)O
InChIInChI=1S/C23H23F7N2O5S2/c1-20(2,34)12-31-19(33)10-15-11-32(39(36,37)16-6-4-14(24)5-7-16)17-8-3-13(9-18(17)38-15)21(35,22(25,26)27)23(28,29)30/h3-9,15,34-35H,10-12H2,1-2H3,(H,31,33)/t15-/m0/s1
InChIKeyXUCORPNQMQOUMD-HNNXBMFYSA-N

Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count1
Bond Count64
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL4214210
PubChem 131953519
ChEMBL CHEMBL4214210