Molecule FYI-1002728

A

Molecule Summary:

ID: FYI-1002728
Names:
InChIKey: CRSVSKVDNXYYQV-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2

Received at FYIcenter.com on: 2023-04-19

Molecule ID: FYI-1002728 Edit

Molecule Structure InChIKey: CRSVSKVDNXYYQV-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002728
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.6167    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1291    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4665    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6789    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4665    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5356    6.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5356    8.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    9.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1226    8.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    7.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1226    6.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  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
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002728-3D
FYIcenter.com

 41 42  0     0  0  0  0  0  0999 V2000
   -1.1495    2.1544    0.3127 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6121   -2.9256    0.6856 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8468    1.3169   -0.5254 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7936   -1.2273   -0.7313 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2967    3.0271    0.5059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0479    2.1802    1.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3962   -0.3809    0.9113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5288    2.3934   -1.2599 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5485   -0.9085    0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7176   -1.0382    1.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770   -0.0310   -1.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4661    0.2608    1.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8374   -0.5205   -2.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8077    0.4134    0.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2862   -0.5770   -1.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7543    0.6360   -0.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059   -0.5755    0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7305    0.5065    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3946   -1.8775    0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0439    0.2864   -0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7079   -2.0977   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5326   -1.0157   -0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3279   -1.9260   -0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4170   -1.8068    0.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3187   -1.4334    2.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9860    1.0027   -0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8412    0.0144   -1.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8413    1.1453    1.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    0.2536    2.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551   -1.5119   -2.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8038    0.1476   -2.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4420   -0.4545    1.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3208    1.2780    1.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9132   -0.6492   -2.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4748   -1.5079   -0.9925 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7816    0.8609   -1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1708    1.5313   -0.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5719    0.4498    1.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0884   -3.1113   -0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4873    2.5025   -1.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0658    3.0005   -1.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 38  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
$$$$

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2023-04-25, 2275👍, 0💬