-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.4542    0.0208    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    1.3250    0.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    0.0208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2750   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -1.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10 12  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 10 13  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <ID> (BBL000272)
BBL000272

>  <Rotatable_Bonds> (BBL000272)
0

>  <logP> (BBL000272)
2.165

>  <PSA> (BBL000272)
71.78

>  <H_Donors> (BBL000272)
2

>  <H_Acceptors> (BBL000272)
2

>  <Number_of_rings> (BBL000272)
2

>  <NAME> (BBL000272)
4-[(2-methylpiperidin-1-yl)sulfonyl]aniline

>  <Mol_Weight> (BBL000272)
254.35

>  <Mol_Formula> (BBL000272)
C12H18N2O2S

>  <Smiles> (BBL000272)
Nc1ccc(cc1)S(=O)(=O)N1CCCCC1C

>  <CAS_Number> (BBL000272)
109099-69-6

>  <Alternative_identifier> (BBL000272)
MFCD01055485

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