Molecule FYI-1003021

A

Molecule Summary:

ID: FYI-1003021
Names:
InChIKey: YASIMYOXMCGFQW-UHFFFAOYSA-N
SMILES: CCCCCCCCNS(=O)(=O)c2c(F)c(F)c(SCc1ccc(C(=O)O)cc1)c(F)c2F

Received at FYIcenter.com on: 2023-05-06

Molecule ID: FYI-1003021 Edit

Molecule Structure InChIKey: YASIMYOXMCGFQW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCNS(=O)(=O)c2c(F)c(F)c(SCc1ccc(C(=O)O)cc1)c(F)c2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1003021
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
   11.6120    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 19 11  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 22  3  1  0  0  0  0
 23 22  1  0  0  0  0
 24  2  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003021-3D
FYIcenter.com

 58 59  0  0  0  0  0  0  0  0999 V2000
    0.9569   -2.0368   -0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764   -2.0353   -0.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0046   -2.5357   -1.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5305   -2.5376   -1.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0581   -3.0424   -3.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5858   -3.0520   -3.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1249   -3.5800   -4.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6514   -3.5519   -4.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2447   -4.4075   -3.6555 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9409   -4.4314   -3.5734 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4236   -3.1738   -4.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3046   -4.8899   -2.2506 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3590   -5.7393   -4.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1261   -5.5052   -5.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5451   -4.2769   -6.1258 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4572   -6.5583   -6.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1481   -6.2794   -7.7728 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0519   -7.8737   -6.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3296   -9.2136   -7.5575 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1486   -9.1881   -7.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6282  -10.2188   -8.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7650   -9.8924  -10.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2166  -10.8437  -11.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5293  -12.1411  -10.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0123  -13.1940  -11.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7807  -14.0746  -11.2018 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4833  -13.1137  -12.7789 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4205  -12.4671   -9.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9601  -11.5179   -8.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2939   -8.0939   -5.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8555   -9.3274   -4.9429 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -7.0418   -4.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1566   -7.3019   -3.3349 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5898   -1.6764    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668   -3.0469   -0.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5566   -1.3860   -1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8513   -2.6716    0.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8415   -1.0192   -0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244   -1.8980   -2.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6329   -3.5506   -2.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9090   -3.1746   -1.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9040   -1.5230   -1.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6835   -2.4022   -4.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6799   -4.0548   -3.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9492   -3.6763   -2.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9598   -2.0357   -3.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7311   -2.9592   -5.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7605   -4.6000   -4.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9903   -2.5191   -4.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9695   -3.9034   -5.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8263   -5.3344   -3.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6005   -9.3883   -6.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4926   -8.1975   -8.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324   -8.8857  -10.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3516  -10.5381  -12.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7505  -12.4798  -12.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7002  -13.4589   -8.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8720  -11.8028   -7.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  4 41  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  1  0  0  0  0
  5 43  1  0  0  0  0
  5 44  1  0  0  0  0
  6  7  1  0  0  0  0
  6 45  1  0  0  0  0
  6 46  1  0  0  0  0
  7  8  1  0  0  0  0
  7 47  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  8 49  1  0  0  0  0
  8 50  1  0  0  0  0
  9 10  1  0  0  0  0
  9 51  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  2  0  0  0  0
 22 23  2  0  0  0  0
 22 54  1  0  0  0  0
 23 24  1  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 56  1  0  0  0  0
 28 29  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 1646👍, 0💬