
 CHEMBL1091893

 48 51  0  0  0  0  0  0  0  0999 V2000
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    0.3062    0.8479    2.0739 C   0  0  0  0  0
    1.2843    1.3510    2.9163 C   0  0  0  0  0
    2.3214    0.5066    3.2804 C   0  0  0  0  0
    2.3629   -0.8092    2.7939 C   0  0  0  0  0
    1.3822   -1.3257    1.9124 C   0  0  0  0  0
    0.3311   -0.4674    1.5705 C   0  0  0  0  0
   -0.8194   -0.6299    0.7614 N   0  0  0  0  0
   -1.5937    0.5393    0.7274 C   0  0  0  0  0
   -2.6330    0.7184    0.1104 O   0  0  0  0  0
   -1.2434   -1.8134    0.0453 C   0  0  0  0  0
   -0.5980   -2.0217   -1.3114 C   0  0  0  0  0
   -0.4938   -3.3043   -1.8820 C   0  0  0  0  0
    0.0256   -3.4837   -3.1684 C   0  0  0  0  0
    0.4252   -2.3800   -3.9129 C   0  0  0  0  0
    0.3050   -1.0993   -3.3871 C   0  0  0  0  0
   -0.2081   -0.9219   -2.0998 C   0  0  0  0  0
    1.0442   -2.5914   -5.5029 Cl  0  0  0  0  0
   -1.0443   -4.7199   -1.0574 Cl  0  0  0  0  0
    1.5144   -2.7325    1.5000 C   0  0  0  0  0
    2.6861   -3.2907    1.1497 C   0  0  0  0  0
    2.7638   -4.7312    0.8050 C   0  0  0  0  0
    1.7840   -5.4446    0.6826 O   0  0  0  0  0
    4.0716   -5.1605    0.5953 N   0  0  0  0  0
    4.4943   -6.6962    0.1336 S   0  0  0  0  0
    5.9366   -6.6592   -0.0141 O   0  0  0  0  0
    3.8631   -7.6681    0.9930 O   0  0  0  0  0
    3.9251   -7.0645   -1.5068 C   0  0  0  0  0
    3.9414   -8.2453   -2.2298 C   0  0  0  0  0
    3.4245   -8.0832   -3.5466 C   0  0  0  0  0
    3.0322   -6.7879   -3.7675 C   0  0  0  0  0
    3.3063   -5.7707   -2.4420 S   0  0  0  0  0
    2.3454   -6.1243   -5.1971 Cl  0  0  0  0  0
    3.3441   -9.3774   -4.6595 Cl  0  0  0  0  0
   -1.5578    1.8619    2.4183 H   0  0  0  0  0
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    3.0983    0.8584    3.9557 H   0  0  0  0  0
    3.1810   -1.4394    3.1406 H   0  0  0  0  0
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    0.5883   -0.2318   -3.9786 H   0  0  0  0  0
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    0.6194   -3.3447    1.5462 H   0  0  0  0  0
    3.6038   -2.7182    1.1159 H   0  0  0  0  0
    4.8764   -4.5597    0.7288 H   0  0  0  0  0
    4.3221   -9.1745   -1.8220 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  7  1  0  0  0
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  3  4  1  0  0  0
  3 37  1  0  0  0
  4  5  2  0  0  0
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  5  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1091893

>  <PubChem CID>
46885341

>  <Formula>
C22H14Cl4N2O4S2

>  <Molecular Weight>
576.284000

>  <IUPAC Name>
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]-N-(4,5-dichlorothiophen-2-yl)sulfonylprop-2-enamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C2=CC=CC(=C2N(C1=O)CC3=C(C=C(C=C3)Cl)Cl)C=CC(=O)NS(=O)(=O)C4=CC(=C(S4)Cl)Cl

>  <Isomeric SMILES>
C1C2=CC=CC(=C2N(C1=O)CC3=C(C=C(C=C3)Cl)Cl)/C=C/C(=O)NS(=O)(=O)C4=CC(=C(S4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C22H14Cl4N2O4S2/c23-15-6-4-14(16(24)9-15)11-28-19(30)8-13-3-1-2-12(21(13)28)5-7-18(29)27-34(31,32)20-10-17(25)22(26)33-20/h1-7,9-10H,8,11H2,(H,27,29)/b7-5+

>  <InChI Key>
BZMUHPHCPVKBAC-FNORWQNLSA-N

