-ISIS-  08251613212D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.8667    0.7542    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    0.0083    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292    0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458    1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292    1.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8500   -1.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5708   -1.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5875    0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <ID> (STK416686)
STK416686

>  <Rotatable_Bonds> (STK416686)
3

>  <logP> (STK416686)
5.52

>  <PSA> (STK416686)
54.55

>  <H_Donors> (STK416686)
1

>  <H_Acceptors> (STK416686)
2

>  <Number_of_rings> (STK416686)
1

>  <NAME> (STK416686)
N-ethyl-2,4,6-tri(propan-2-yl)benzenesulfonamide

>  <Mol_Weight> (STK416686)
311.49

>  <Mol_Formula> (STK416686)
C17H29NO2S

>  <Smiles> (STK416686)
CCNS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C

$$$$