N-[5-[(4-Methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b] pyrazin-2-yl]carbamic acid ethyl ester
  -molcms-06112608172D

 21 23  0  0  1  0  0  0  0  0999 V2000
   -3.1963    0.4627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2407    0.1679    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5605    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5633    0.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9888    0.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430    1.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665    0.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6012   -0.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2246   -1.2656    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6123   -0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470   -1.5637    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2948   -0.9556    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4383   -1.6357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2256   -1.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2256   -2.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917   -2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9577   -2.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9577   -1.3209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917   -0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12  6  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 21  2  1  0  0  0  0
M  END
>  <ProductName>
N-[5-[(4-Methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b] pyrazin-2-yl]carbamic acid ethyl ester

>  <CASNumber>
1373116-05-2

>  <MolecularFormula>
C16 H16 F2 N2 O

>  <MDLNo>
MFCD34184509

>  <MolWt>
290.31

>  <BoilingPoint>
418.7��45.0 ��C(Predicted)

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O[C@@H]1CC[C@@H](C2=CC=CC(F)=C2F)[C@H](N)C3=CC=CN=C31

$$$$
