Mol:COX00060

4495 
  CDK    9/16/09,17:8 
 
 33 34  0  0  0  0  0  0  0  0999 V2000 
    7.1962    2.0670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6962    2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6962    1.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    7.1962   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.0000   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7932    1.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7331    0.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9272   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7331   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3722    2.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5991    2.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7522    3.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2690   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4631    0.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4631   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  2  0  0  0  0 
  1  7  1  0  0  0  0 
  1 15  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2 16  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  7 22  1  0  0  0  0 
  8 13  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 14  2  0  0  0  0 
 11 23  1  0  0  0  0 
 12 13  2  0  0  0  0 
 12 24  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 25  1  0  0  0  0 
 15 26  1  0  0  0  0 
 15 27  1  0  0  0  0 
 15 28  1  0  0  0  0 
 16 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 17 29  1  0  0  0  0 
 18 20  2  0  0  0  0 
 18 30  1  0  0  0  0 
 19 21  2  0  0  0  0 
 19 31  1  0  0  0  0 
 20 21  1  0  0  0  0 
 20 32  1  0  0  0  0 
 21 33  1  0  0  0  0 
M  CHG  1   5  -1 
M  CHG  1   8   1 
S  SKP  6 
NAME	Nimesulide 
ID	COX00060 
FORMULA	C13H13N2O5S 
EXACTMASS	309.05451722600003 
AVERAGEMASS	309.3188 
SMILES	ON(=O)c(c([H])1)c([H])c(Oc(c([H])2)c([H])c([H])c([H])c([H])2)c(c([H])1)N([H])S(=O)(=O)C([H])([H])[H] 
M  END