
 CHEMBL3290000

 53 56  0  0  0  0  0  0  0  0999 V2000
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   -7.0256   -3.0414   -1.0244 S   0  0  0  0  0
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    2.1892    2.8771    0.5240 H   0  0  0  0  0
    0.3244    3.0352   -1.0720 H   0  0  0  0  0
   -0.1011    2.0500    0.3230 H   0  0  0  0  0
   -0.1129   -0.6709   -0.2023 H   0  0  0  0  0
    0.4593   -1.0728   -1.8094 H   0  0  0  0  0
    2.2081   -1.3910   -0.0843 H   0  0  0  0  0
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  1  6  1  0  0  0
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  3 17  1  0  0  0
  4  5  1  0  0  0
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  4 35  1  0  0  0
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  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7 11  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3290000

>  <PubChem CID>
66800910

>  <Formula>
C20H24FN3O3S2

>  <Molecular Weight>
437.548000

>  <IUPAC Name>
N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]thiophene-2-sulfonamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCCNS(=O)(=O)C4=CC=CS4

>  <Isomeric SMILES>
C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCCNS(=O)(=O)C4=CC=CS4

>  <InChI Std. ID>
InChI=1S/C20H24FN3O3S2/c21-16-5-6-17-18(14-16)27-23-20(17)15-7-11-24(12-8-15)10-2-1-9-22-29(25,26)19-4-3-13-28-19/h3-6,13-15,22H,1-2,7-12H2

>  <InChI Key>
BDBDYFWUCQEXEB-UHFFFAOYSA-N

