
 CHEMBL3329755

 59 62  0  0  0  0  0  0  0  0999 V2000
    3.6387    0.9682    3.2767 C   0  0  0  0  0
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    4.4167    1.6744    0.1539 O   0  0  0  0  0
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    6.7902    6.9816   -1.5169 S   0  0  0  0  0
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    4.0452   12.4003   -3.2863 N   0  0  0  0  0
    4.4764   11.7694   -2.1912 C   0  0  0  0  0
    3.6508   -0.0139    3.7599 H   0  0  0  0  0
    3.3483    1.7146    4.0228 H   0  0  0  0  0
    4.6575    1.1992    2.9497 H   0  0  0  0  0
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    2.9740    0.1946    1.3868 H   0  0  0  0  0
    1.9678    4.1732    1.8084 H   0  0  0  0  0
    1.2208    2.9566    2.8304 H   0  0  0  0  0
    0.5490    1.0089    0.4342 H   0  0  0  0  0
   -1.4391    0.8275   -0.9557 H   0  0  0  0  0
   -2.8748    2.8066   -1.3634 H   0  0  0  0  0
   -2.2991    4.9727   -0.3455 H   0  0  0  0  0
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    3.7132    3.3748   -2.2100 H   0  0  0  0  0
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    3.8346    5.8492   -2.2498 H   0  0  0  0  0
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    4.4103   12.2746   -1.2364 H   0  0  0  0  0
  1  2  1  0  0  0
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  3 15  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3329755

>  <PubChem CID>
71737672

>  <Formula>
C23H25F3N4O3S

>  <Molecular Weight>
494.533000

>  <IUPAC Name>
N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCN(CC1=CC=CC=C1C(F)(F)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NN=C4

>  <Isomeric SMILES>
CCN(CC1=CC=CC=C1C(F)(F)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NN=C4

>  <InChI Std. ID>
InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)

>  <InChI Key>
FJPQEOQGIZSLES-UHFFFAOYSA-N

