
 CHEMBL2087035

 62 64  0  0  0  0  0  0  0  0999 V2000
    8.0177   -3.1588    2.7707 C   0  0  0  0  0
    8.4440   -3.0844    1.3221 C   0  0  0  0  0
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    4.7197  -10.5925   -0.0701 N   0  0  0  0  0
    4.0256   -9.8866    0.9969 C   0  0  0  0  0
    5.4861  -11.7783    0.3161 C   0  0  0  0  0
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    7.7677  -12.6080    0.9904 C   0  0  0  0  0
   11.1661  -10.9818    1.3136 C   0  0  0  0  0
   11.8401  -11.7594    2.1251 N   0  0  0  0  0
   13.2274  -11.2152    2.0897 C   0  0  0  0  0
   13.2900  -10.2871    0.8761 C   0  0  0  0  0
   11.8877   -9.9953    0.6762 N   0  0  0  0  0
   11.0246   -2.5464    2.1275 Cl  0  0  0  0  0
    8.8419   -3.0499    3.4790 H   0  0  0  0  0
    7.5757   -4.1428    2.9684 H   0  0  0  0  0
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   11.2153   -2.7139   -0.6468 H   0  0  0  0  0
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    8.0516   -6.1430   -2.5458 H   0  0  0  0  0
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    4.2595   -4.5133   -1.5554 H   0  0  0  0  0
    5.1284   -5.5054   -0.3446 H   0  0  0  0  0
    3.8728   -6.6250   -2.9014 H   0  0  0  0  0
    3.0545   -6.5249   -1.3192 H   0  0  0  0  0
    3.8162   -8.9565   -2.8987 H   0  0  0  0  0
    2.9069   -8.9795   -1.3776 H   0  0  0  0  0
    3.6464   -8.9127    0.6886 H   0  0  0  0  0
    4.7034   -9.7434    1.8429 H   0  0  0  0  0
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   13.6958  -10.8133    0.0053 H   0  0  0  0  0
   13.8799   -9.3861    1.0638 H   0  0  0  0  0
   11.6054   -9.7810   -0.2738 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  6  7  2  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  9 12  1  0  0  0
  9 11  2  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2087035

>  <PubChem CID>
57342336

>  <Formula>
C23H28Cl2N4O4S

>  <Molecular Weight>
527.461000

>  <IUPAC Name>
2-[2-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC(=C1Cl)S(=O)(=O)N(C)CCOCC(=O)N(C)CC2=CC=C(C=C2)C3=NCCN3)Cl

>  <Isomeric SMILES>
CC1=C(C=CC(=C1Cl)S(=O)(=O)N(C)CCOCC(=O)N(C)CC2=CC=C(C=C2)C3=NCCN3)Cl

>  <InChI Std. ID>
InChI=1S/C23H28Cl2N4O4S/c1-16-19(24)8-9-20(22(16)25)34(31,32)29(3)12-13-33-15-21(30)28(2)14-17-4-6-18(7-5-17)23-26-10-11-27-23/h4-9H,10-15H2,1-3H3,(H,26,27)

>  <InChI Key>
IOZWNCSTDKYYGK-UHFFFAOYSA-N

