
 CHEMBL3746079

 64 66  0  0  0  0  0  0  0  0999 V2000
    4.5107    3.1976   -1.0005 C   0  0  0  0  0
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    2.3652  -11.8442   -1.5423 F   0  0  0  0  0
    4.2596    2.1990   -1.3690 H   0  0  0  0  0
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    3.7868    3.4301   -0.2104 H   0  0  0  0  0
    5.8925    5.5038   -0.5430 H   0  0  0  0  0
    7.0766    4.8572    0.6159 H   0  0  0  0  0
    5.3548    4.8255    0.9902 H   0  0  0  0  0
    5.9407    1.2575    0.3789 H   0  0  0  0  0
    5.5342    2.5118    1.5283 H   0  0  0  0  0
    7.2160    2.2970    1.0175 H   0  0  0  0  0
    7.8811    5.0419   -1.5286 H   0  0  0  0  0
    9.4399    4.7013   -3.3535 H   0  0  0  0  0
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    7.9593    0.7465   -3.9741 H   0  0  0  0  0
    7.6370   -0.6559   -1.9568 H   0  0  0  0  0
    6.3735   -0.7637   -3.2302 H   0  0  0  0  0
    4.6678   -1.1645   -1.4102 H   0  0  0  0  0
    5.9444   -1.0645   -0.2200 H   0  0  0  0  0
    6.3621   -2.9920   -3.3861 H   0  0  0  0  0
    4.6484   -3.0176   -2.9767 H   0  0  0  0  0
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    6.7268   -5.2266   -2.5529 H   0  0  0  0  0
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    3.0340  -10.5667    0.6166 H   0  0  0  0  0
    1.5747  -10.2108   -3.3960 H   0  0  0  0  0
    1.4362   -7.7447   -3.1463 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
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  3 35  1  0  0  0
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  3 37  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  7  8  2  0  0  0
  7 42  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3746079

>  <PubChem CID>
127041563

>  <Formula>
C24H33FN2O3S

>  <Molecular Weight>
448.597000

>  <IUPAC Name>
N-[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]-4-fluoro-N-methylbenzenesulfonamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(C)C1=CC=CC=C1OCCN2CCC(CC2)N(C)S(=O)(=O)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
CC(C)(C)C1=CC=CC=C1OCCN2CCC(CC2)N(C)S(=O)(=O)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C24H33FN2O3S/c1-24(2,3)22-7-5-6-8-23(22)30-18-17-27-15-13-20(14-16-27)26(4)31(28,29)21-11-9-19(25)10-12-21/h5-12,20H,13-18H2,1-4H3

>  <InChI Key>
APKDIQSHDGVEMU-UHFFFAOYSA-N

