
 CHEMBL489310

 51 54  0  0  0  0  0  0  0  0999 V2000
    0.7345    0.5455    0.2447 C   0  0  0  0  0
    2.1625    0.3392    0.3455 N   0  0  0  0  0
    2.7532   -0.8693    0.5922 C   0  0  0  0  0
    4.1155   -0.6735    0.5888 C   0  0  0  0  0
    4.3726    0.7147    0.3875 C   0  0  0  0  0
    3.1220    1.3170    0.1762 C   0  0  0  0  0
    2.9925    2.6780   -0.1470 C   0  0  0  0  0
    4.1508    3.4548   -0.2304 C   0  0  0  0  0
    5.4006    2.9003    0.0212 C   0  0  0  0  0
    5.5253    1.5356    0.3117 C   0  0  0  0  0
    6.7903    1.0823    0.6485 O   0  0  0  0  0
    7.4795    0.3287   -0.2734 C   0  0  0  0  0
    8.5256   -0.4360    0.2522 C   0  0  0  0  0
    9.2943   -1.2511   -0.5816 C   0  0  0  0  0
    9.0218   -1.2949   -1.9524 C   0  0  0  0  0
    7.9887   -0.5145   -2.4802 C   0  0  0  0  0
    7.2211    0.3013   -1.6443 C   0  0  0  0  0
    9.9165   -2.2910   -3.0430 Cl  0  0  0  0  0
   10.5576   -2.1804    0.1431 Cl  0  0  0  0  0
    5.0521   -1.7433    0.6505 C   0  0  0  0  0
    5.1847   -2.5912   -0.3819 C   0  0  0  0  0
    6.1485   -3.7043   -0.3507 C   0  0  0  0  0
    6.8877   -3.9052    0.6005 O   0  0  0  0  0
    6.1526   -4.6039   -1.4195 N   0  0  0  0  0
    5.3985   -4.5658   -2.8896 S   0  0  0  0  0
    5.4331   -3.2153   -3.3981 O   0  0  0  0  0
    5.9293   -5.6800   -3.6444 O   0  0  0  0  0
    3.6938   -4.9639   -2.5649 C   0  0  0  0  0
    2.7836   -4.7985   -3.6164 C   0  0  0  0  0
    1.4371   -5.0669   -3.3963 C   0  0  0  0  0
    0.9951   -5.4833   -2.1453 C   0  0  0  0  0
    1.8974   -5.6514   -1.0984 C   0  0  0  0  0
    3.2571   -5.4012   -1.3072 C   0  0  0  0  0
   -0.3055   -5.7264   -1.9352 F   0  0  0  0  0
    0.5643   -4.9158   -4.4014 F   0  0  0  0  0
    0.2184   -0.4127    0.3485 H   0  0  0  0  0
    0.5138    0.9767   -0.7348 H   0  0  0  0  0
    0.4274    1.2207    1.0471 H   0  0  0  0  0
    2.1636   -1.7687    0.7171 H   0  0  0  0  0
    2.0198    3.1252   -0.3294 H   0  0  0  0  0
    4.0706    4.5106   -0.4791 H   0  0  0  0  0
    6.2883    3.5265   -0.0131 H   0  0  0  0  0
    8.7275   -0.4022    1.3202 H   0  0  0  0  0
    7.7713   -0.5394   -3.5458 H   0  0  0  0  0
    6.4275    0.9003   -2.0829 H   0  0  0  0  0
    5.6772   -1.8287    1.5365 H   0  0  0  0  0
    4.5714   -2.4440   -1.2593 H   0  0  0  0  0
    6.8414   -5.3505   -1.3490 H   0  0  0  0  0
    3.1088   -4.4692   -4.6002 H   0  0  0  0  0
    1.5349   -5.9795   -0.1280 H   0  0  0  0  0
    3.9465   -5.5552   -0.4819 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  9 10  2  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 44  1  0  0  0
 17 45  1  0  0  0
 20 21  2  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 28  1  0  0  0
 25 27  2  0  0  0
 25 26  2  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 49  1  0  0  0
 30 31  2  0  0  0
 30 35  1  0  0  0
 31 32  1  0  0  0
 31 34  1  0  0  0
 32 33  2  0  0  0
 32 50  1  0  0  0
 33 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL489310

>  <PubChem CID>
44564571

>  <Formula>
C24H16Cl2F2N2O4S

>  <Molecular Weight>
537.359000

>  <IUPAC Name>
(E)-3-[4-(3,4-dichlorophenoxy)-1-methylindol-3-yl]-N-(3,4-difluorophenyl)sulfonylprop-2-enamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C=C(C2=C1C=CC=C2OC3=CC(=C(C=C3)Cl)Cl)C=CC(=O)NS(=O)(=O)C4=CC(=C(C=C4)F)F

>  <Isomeric SMILES>
CN1C=C(C2=C1C=CC=C2OC3=CC(=C(C=C3)Cl)Cl)/C=C/C(=O)NS(=O)(=O)C4=CC(=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C24H16Cl2F2N2O4S/c1-30-13-14(5-10-23(31)29-35(32,33)16-7-9-19(27)20(28)12-16)24-21(30)3-2-4-22(24)34-15-6-8-17(25)18(26)11-15/h2-13H,1H3,(H,29,31)/b10-5+

>  <InChI Key>
DCKNNFTZFHMFSY-BJMVGYQFSA-N

