-ISIS-  08251614332D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.0792    1.2833    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2083    0.7708    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.3833   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5667    2.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    1.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.2375    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.5167   -0.2250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2083   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917   -0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -2.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1083   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8 13  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  2  0  0  0  0
 16 19  2  0  0  0  0
 17 16  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 17  1  0  0  0  0
 18 16  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
>  <ID> (STL289500)
STL289500

>  <Rotatable_Bonds> (STL289500)
1

>  <logP> (STL289500)
1.886

>  <PSA> (STL289500)
91.37

>  <H_Donors> (STL289500)
0

>  <H_Acceptors> (STL289500)
3

>  <Number_of_rings> (STL289500)
2

>  <NAME> (STL289500)
N,N-dimethyl-1-{[4-(methylsulfanyl)phenyl]sulfonyl}piperidine-4-carboxamide

>  <Mol_Weight> (STL289500)
342.48

>  <Mol_Formula> (STL289500)
C15H22N2O3S2

>  <Smiles> (STL289500)
CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N(C)C

$$$$