Cis-5-Methyl-3-(toluene-4-sulfonyl)-3-aza-bicyclo[3.2.0]heptan-6-one
  -molcms-06172611172D

 20 22  0  0  1  0  0  0  0  0999 V2000
   -1.8168    0.3367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9781   -0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3584    0.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092   -0.1691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5873    0.0388    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3794    1.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8745    1.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526    1.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5218    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4999    0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2127   -0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2346   -0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7952   -0.9394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024   -1.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -0.9781    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2602   -1.9768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7702   -1.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
  7 16  2  0  0  0  0
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  3  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
>  <ProductName>
Cis-5-Methyl-3-(toluene-4-sulfonyl)-3-aza-bicyclo[3.2.0]heptan-6-one

>  <CASNumber>
122081-02-1

>  <MolecularFormula>
C14 H17 N O3 S

>  <MDLNo>


>  <MolWt>
279.35

>  <BoilingPoint>
430.8��55.0 ��C(Predicted)

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O=C1[C@]2(C)CN(S(=O)(C3=CC=C(C)C=C3)=O)C[C@]2([H])C1

$$$$
