Molecule FYI-1001506

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A

Molecule Summary:

ID: FYI-1001506
SMILES: FC(F)(F)CNC(=O)C1C(Cl)=CC(F)=C(OC[C@@H](C)NS(=O)(=O)C(F)(F)F)C=1

Received at FYIcenter.com on: 2022-08-17

Molecule ID: FYI-1001506 Edit

Molecule Structure SMILES String: FC(F)(F)CNC(=O)C1C(Cl)=CC(F)=C(OC[C@@H](C)NS(=O)(=O)C(F)(F)F)C=1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001506
FYIcenter.com

 28 28  0  0  1  0  0  0  0  0999 V2000
    7.9746    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.5125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.6125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    9.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248    9.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.3001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    8.7249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 18 20  1  6  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  1  0  0  0  0
 28 15  1  0  0  0  0
 28  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001506-3D
FYIcenter.com

 40 40  0  0  1  0  0  0  0  0999 V2000
    3.4254    0.2143   -5.0961 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4522    0.9144   -4.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    1.5535   -5.4358 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6176    0.0354   -3.8773 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0156    1.9320   -3.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4716    1.9627   -3.3470 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1589    1.1650   -2.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5987    0.3399   -1.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6459    1.3206   -2.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3230    2.5153   -2.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5444    4.0097   -3.0947 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7160    2.5612   -2.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4426    1.4327   -2.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7724    1.5729   -2.1871 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8063    0.2261   -1.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4010   -0.9603   -1.6397 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8335   -1.0506   -1.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2724   -2.5089   -1.9471 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7743   -2.8964   -3.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7777   -2.5983   -1.8417 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4800   -4.1475   -2.1475 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8757   -5.0105   -1.1495 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2835   -4.4198   -3.5590 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3152   -3.9269   -1.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5895   -2.6608   -1.3658 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7533   -4.7717   -0.8222 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0880   -4.1511   -2.8954 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4030    0.1852   -2.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793    1.7595   -2.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7215    2.9424   -3.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9887    2.5616   -3.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2566    3.4777   -2.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2098   -0.7256   -0.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2830   -0.4315   -2.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8193   -3.1651   -1.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3059   -2.3346   -4.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7040   -2.6969   -3.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9062   -3.9630   -3.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0892   -2.2747   -0.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8898   -0.7467   -1.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  1  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 40  1  0  0  0  0
M  END
$$$$

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2022-10-01, 512👍, 0💬