
 CHEMBL3937911

 56 58  0  0  0  0  0  0  0  0999 V2000
    6.6926    0.3559    1.5879 C   0  0  0  0  0
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    6.6276    0.5074    2.6701 H   0  0  0  0  0
    7.0595   -0.6623    1.4216 H   0  0  0  0  0
    5.6853    0.4951    1.1857 H   0  0  0  0  0
    9.8755    2.1437    0.5007 H   0  0  0  0  0
   11.0855    1.9143   -1.6453 H   0  0  0  0  0
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    6.7971   -1.6836   -2.3147 H   0  0  0  0  0
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  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3937911

>  <PubChem CID>
134148920

>  <Formula>
C21H26ClFN2O4S

>  <Molecular Weight>
456.957000

>  <IUPAC Name>
5-chloro-2-fluoro-N-[[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC=CC=C1OCCN2CCC(CC2)CNS(=O)(=O)C3=C(C=CC(=C3)Cl)F

>  <Isomeric SMILES>
COC1=CC=CC=C1OCCN2CCC(CC2)CNS(=O)(=O)C3=C(C=CC(=C3)Cl)F

>  <InChI Std. ID>
InChI=1S/C21H26ClFN2O4S/c1-28-19-4-2-3-5-20(19)29-13-12-25-10-8-16(9-11-25)15-24-30(26,27)21-14-17(22)6-7-18(21)23/h2-7,14,16,24H,8-13,15H2,1H3

>  <InChI Key>
AAZAYUHSKXGNJY-UHFFFAOYSA-N

