
 CHEMBL604277

 62 64  0  0  0  0  0  0  0  0999 V2000
    2.5063    3.5180    0.7199 C   0  0  0  0  0
    3.5025    2.3949    0.7218 C   0  0  0  0  0
    3.5959    1.5512    1.8371 C   0  0  0  0  0
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    6.5852   -0.9835    0.8681 S   0  0  0  0  0
    7.7576   -0.3832    1.4694 O   0  0  0  0  0
    5.8798   -2.1049    1.4555 O   0  0  0  0  0
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    5.8275   -2.0845   -1.4896 C   0  0  0  0  0
    5.6039   -1.4136   -2.8137 C   0  0  0  0  0
    6.1103   -1.8320   -3.9813 C   0  0  0  0  0
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    9.1179   -0.7068   -1.4122 C   0  0  0  0  0
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   10.2469   -3.1642   -0.7775 C   0  0  0  0  0
    8.8516   -3.0189   -0.7061 C   0  0  0  0  0
    8.0370   -4.1750   -0.3724 N   0  0  0  0  0
    7.8601   -5.2061   -1.4351 C   0  0  0  0  0
    9.0890   -5.9980   -1.7681 C   0  0  0  0  0
    9.2613   -7.2948   -1.4765 C   0  0  0  0  0
    8.1900   -4.7203    1.2491 S   0  0  0  0  0
    9.1899   -5.7690    1.2830 O   0  0  0  0  0
    8.3112   -3.5812    2.1318 O   0  0  0  0  0
    6.6262   -5.4958    1.6274 C   0  0  0  0  0
    6.5871   -6.4525    2.6445 C   0  0  0  0  0
    5.3832   -7.0973    2.9452 C   0  0  0  0  0
    4.2165   -6.7969    2.2300 C   0  0  0  0  0
    4.2698   -5.8478    1.2039 C   0  0  0  0  0
    5.4654   -5.1884    0.9152 C   0  0  0  0  0
    2.9303   -7.5135    2.5213 C   0  0  0  0  0
    1.5380    3.1702    1.0951 H   0  0  0  0  0
    2.3456    3.9041   -0.2917 H   0  0  0  0  0
    2.8619    4.3368    1.3533 H   0  0  0  0  0
    2.9432    1.6985    2.6957 H   0  0  0  0  0
    4.6010   -0.1293    2.7338 H   0  0  0  0  0
    6.0332    1.0903   -1.1526 H   0  0  0  0  0
    4.3417    2.8800   -1.2122 H   0  0  0  0  0
    4.8804   -2.0521   -0.9396 H   0  0  0  0  0
    6.0522   -3.1389   -1.6401 H   0  0  0  0  0
    4.9424   -0.5497   -2.8105 H   0  0  0  0  0
    6.7700   -2.6914   -4.0432 H   0  0  0  0  0
    5.8832   -1.3056   -4.9038 H   0  0  0  0  0
    8.6921    0.2777   -1.6185 H   0  0  0  0  0
   11.1303   -0.0478   -1.8077 H   0  0  0  0  0
   12.1406   -2.2370   -1.2241 H   0  0  0  0  0
   10.7189   -4.1041   -0.4997 H   0  0  0  0  0
    7.5293   -4.7087   -2.3549 H   0  0  0  0  0
    7.0395   -5.8790   -1.1691 H   0  0  0  0  0
    9.8702   -5.4901   -2.3273 H   0  0  0  0  0
    8.5197   -7.8627   -0.9226 H   0  0  0  0  0
   10.1760   -7.8116   -1.7543 H   0  0  0  0  0
    7.4841   -6.6894    3.2124 H   0  0  0  0  0
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    3.3765   -5.6055    0.6330 H   0  0  0  0  0
    5.4690   -4.4286    0.1447 H   0  0  0  0  0
    2.0762   -6.8375    2.4043 H   0  0  0  0  0
    2.9101   -7.8872    3.5501 H   0  0  0  0  0
    2.8094   -8.3585    1.8366 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 38  1  0  0  0
  4  5  2  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 40  1  0  0  0
  7 41  1  0  0  0
  8 11  1  0  0  0
  8 10  2  0  0  0
  8  9  2  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 12 43  1  0  0  0
 13 14  2  0  0  0
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 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
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 30 31  2  0  0  0
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 31 32  1  0  0  0
 31 34  1  0  0  0
 32 33  2  0  0  0
 32 58  1  0  0  0
 33 59  1  0  0  0
 34 60  1  0  0  0
 34 61  1  0  0  0
 34 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL604277

>  <PubChem CID>
3453336

>  <Formula>
C26H28N2O4S2

>  <Molecular Weight>
496.640000

>  <IUPAC Name>
4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]-N-prop-2-enylbenzenesulfonamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2N(CC=C)S(=O)(=O)C3=CC=C(C=C3)C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2N(CC=C)S(=O)(=O)C3=CC=C(C=C3)C

>  <InChI Std. ID>
InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3

>  <InChI Key>
WLHVFPKZYDQKGS-UHFFFAOYSA-N

