
 CHEMBL3126704

 52 54  0  0  0  0  0  0  0  0999 V2000
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    6.4128   -0.3436   -0.7204 C   0  0  0  0  0
    5.9766    0.7795   -0.9406 O   0  0  0  0  0
    6.1840   -1.3794   -1.7436 C   0  0  0  0  0
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    1.2963  -11.1940   -0.7777 C   0  0  0  0  0
    2.0087   -5.8877   -3.5574 Cl  0  0  0  0  0
    7.8214   -0.0289   -3.4838 Cl  0  0  0  0  0
    7.8279   -3.1493    2.3809 H   0  0  0  0  0
    8.7398   -2.7963    3.8575 H   0  0  0  0  0
    9.5021   -3.7086    2.5454 H   0  0  0  0  0
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    3.8929   -5.0527   -2.9253 H   0  0  0  0  0
    0.6731   -8.1473   -2.6968 H   0  0  0  0  0
    1.7521   -8.3894    1.4714 H   0  0  0  0  0
    3.1399   -6.3800    1.2294 H   0  0  0  0  0
    1.6908  -11.0778   -1.7895 H   0  0  0  0  0
    0.7547  -12.1389   -0.6967 H   0  0  0  0  0
    2.1020  -11.1633   -0.0416 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  2 37  1  0  0  0
  3  4  2  0  0  0
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  4 38  1  0  0  0
  5  6  2  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
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  7 41  1  0  0  0
  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3126704

>  <PubChem CID>
76311003

>  <Formula>
C23H20Cl2N2O4S

>  <Molecular Weight>
491.383000

>  <IUPAC Name>
2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]-N-(2-ethylphenyl)benzamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl)Cl

>  <Isomeric SMILES>
CCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C23H20Cl2N2O4S/c1-3-14-6-4-5-7-21(14)27-23(29)18-12-15(8-11-19(18)24)26-22(28)17-10-9-16(13-20(17)25)32(2,30)31/h4-13H,3H2,1-2H3,(H,26,28)(H,27,29)

>  <InChI Key>
AOPFCBRNKLMRQD-UHFFFAOYSA-N

