-ISIS-  08251614332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.3792    1.3208    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5042    0.8083    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.0875   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8083   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8917    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2417    1.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8667    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -0.1875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5042   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0833   -1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8875    0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4083   -0.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4125   -2.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3875   -0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8083   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4125   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 15  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13  6  2  0  0  0  0
 14  3  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17  7  2  0  0  0  0
 18  7  1  0  0  0  0
 19 22  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24  5  2  0  0  0  0
 25  6  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 28 21  1  0  0  0  0
 23 19  2  0  0  0  0
 16 10  1  0  0  0  0
 27 13  1  0  0  0  0
M  END
>  <ID> (STL289504)
STL289504

>  <Rotatable_Bonds> (STL289504)
1

>  <logP> (STL289504)
4.898

>  <PSA> (STL289504)
100.16

>  <H_Donors> (STL289504)
1

>  <H_Acceptors> (STL289504)
3

>  <Number_of_rings> (STL289504)
3

>  <NAME> (STL289504)
N-(3-chloro-2-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]sulfonyl}piperidine-4-carboxamide

>  <Mol_Weight> (STL289504)
439.00

>  <Mol_Formula> (STL289504)
C20H23ClN2O3S2

>  <Smiles> (STL289504)
CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(c1C)Cl

$$$$