
 MLS002636314

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    3.9492    6.7674   -0.7813 C   0  0  0  0  0
    5.0298    7.9143   -1.4686 S   0  0  0  0  0
    6.2506    6.7222   -1.4829 C   0  0  0  0  0
    5.9220    5.5499   -1.0090 N   0  0  0  0  0
    7.4465    7.1444   -2.0022 N   0  0  0  0  0
    8.5365    6.3035   -2.0633 C   0  0  0  0  0
    8.5558    5.1387   -1.6671 O   0  0  0  0  0
    9.8029    6.8519   -2.6579 C   0  0  0  0  0
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   10.8454    5.9578   -3.0006 C   0  0  0  0  0
   10.6748    4.5296   -2.9143 N   0  0  0  0  0
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    7.1787   -0.8612   -2.5239 F   0  0  0  0  0
    9.8862   -1.0638   -2.8670 F   0  0  0  0  0
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    9.9570    4.2931   -2.2074 H   0  0  0  0  0
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    6.1500    1.4624   -3.0690 H   0  0  0  0  0
    7.4417    3.4353   -3.8576 H   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS002636314

>  <PubChem CID>
2374706

>  <Formula>
C23H17F2N3O4S2

>  <Molecular Weight>
501.523000

>  <IUPAC Name>
2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)F)F

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC(=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C23H17F2N3O4S2/c1-32-15-8-6-14(7-9-15)21-13-33-23(26-21)27-22(29)17-4-2-3-5-20(17)28-34(30,31)16-10-11-18(24)19(25)12-16/h2-13,28H,1H3,(H,26,27,29)

>  <InChI Key>
CUQBLPWFKHAAND-UHFFFAOYSA-N

