
 CHEMBL3971461

 38 41  0  0  0  0  0  0  0  0999 V2000
   -2.4052    1.1661   -1.1960 C   0  0  0  0  0
   -0.9758    1.5676   -0.9365 C   0  0  0  0  0
   -0.3002    2.6568   -1.4659 C   0  0  0  0  0
    1.0285    2.8755   -1.0792 C   0  0  0  0  0
    1.6719    2.0143   -0.1727 C   0  0  0  0  0
    0.9969    0.9191    0.3624 C   0  0  0  0  0
   -0.3146    0.7319   -0.0337 C   0  0  0  0  0
   -1.3780   -0.5349    0.5248 S   0  0  0  0  0
   -0.7905   -1.8284    0.2606 O   0  0  0  0  0
   -1.8703   -0.1384    1.8254 O   0  0  0  0  0
   -2.5779   -0.2119   -0.6650 N   0  0  0  0  0
   -3.8726   -0.7369   -0.3601 C   0  0  0  0  0
   -4.1078   -2.0788   -0.6742 C   0  0  0  0  0
   -5.2397   -2.7322   -0.1793 C   0  0  0  0  0
   -6.1833   -2.0163    0.5550 C   0  0  0  0  0
   -5.9516   -0.6770    0.8434 C   0  0  0  0  0
   -4.7940   -0.0356    0.4163 C   0  0  0  0  0
   -6.8438    0.0015    1.5772 F   0  0  0  0  0
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   -2.3856   -5.9258    0.0339 C   0  0  0  0  0
   -2.5814   -6.9807   -0.7871 N   0  0  0  0  0
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   -4.7504   -6.0720   -1.3157 C   0  0  0  0  0
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   -0.7817    3.3336   -2.1662 H   0  0  0  0  0
    1.5737    3.7266   -1.4835 H   0  0  0  0  0
    2.7031    2.2080    0.1153 H   0  0  0  0  0
    1.4748    0.2485    1.0693 H   0  0  0  0  0
   -3.3772   -2.6140   -1.2763 H   0  0  0  0  0
   -7.0823   -2.4977    0.9265 H   0  0  0  0  0
   -4.6178    0.9851    0.7360 H   0  0  0  0  0
   -3.0963   -4.1215    0.9316 H   0  0  0  0  0
   -1.4259   -5.9050    0.5431 H   0  0  0  0  0
   -3.9049   -7.9044   -2.0699 H   0  0  0  0  0
   -5.6836   -6.1663   -1.8581 H   0  0  0  0  0
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  1  2  1  0  0  0
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  1 27  1  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3971461

>  <PubChem CID>
134153222

>  <Formula>
C18H13FN2O3S

>  <Molecular Weight>
356.371000

>  <IUPAC Name>
2-(3-fluoro-5-pyridin-4-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C2=CC=CC=C2S(=O)(=O)N1C3=CC(=CC(=C3)F)OC4=CC=NC=C4

>  <Isomeric SMILES>
C1C2=CC=CC=C2S(=O)(=O)N1C3=CC(=CC(=C3)F)OC4=CC=NC=C4

>  <InChI Std. ID>
InChI=1S/C18H13FN2O3S/c19-14-9-15(11-17(10-14)24-16-5-7-20-8-6-16)21-12-13-3-1-2-4-18(13)25(21,22)23/h1-11H,12H2

>  <InChI Key>
AEFPXUHUHYDYKB-UHFFFAOYSA-N

