Molecule Editor

Molecule ID: FYI-1002721 Edit

Molecule Structure InChIKey: ZOZJONWJZVJBCD-ICSRJNTNSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3c(F)c(F)c(S(=O)(=O)CCO)c(N[C@@H](c1ccccc1)[C@@H](O)c2ccccc2)c3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002721
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
    9.7814    5.6473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5587    6.3532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    7.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8528    5.1305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3360    7.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3360    8.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5587    9.1768    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1133    9.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1133   10.5887    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907    8.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907    7.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680    6.3532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2227    2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    4.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1133    6.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1964    5.0971    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680    9.1768    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    7.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2562    9.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680   10.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907   11.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907   12.7063    0.0000 O   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 12  1  6  0  0  0
 14 13  1  0  0  0  0
 14 15  1  1  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 11  2  0  0  0  0
 28  5  1  0  0  0  0
 29 28  1  0  0  0  0
 30 10  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  2  0  0  0  0
 33 30  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002721-3D
FYIcenter.com

 56 58  0     1  0  0  0  0  0999 V2000
    2.6441    0.9102   -0.9075 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4663   -4.3115    0.7038 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344   -1.6208    0.3027 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760   -1.7793   -0.5013 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473   -4.0382    0.1940 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6769    2.9539   -1.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6965    1.9880   -1.1455 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7185    1.0863    0.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3751    2.7931   -3.2331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8579   -4.1689    0.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3059   -5.4580    0.2465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3303    0.6787   -0.3961 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3748   -4.2323    2.4079 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0988    1.2862    0.6892 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2189    2.1589    0.0502 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3756   -0.4932   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7548   -0.5302   -0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1840    2.0210    1.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    1.3395   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3076   -1.6557    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3733    0.5010   -2.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3885   -2.8550    0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4507   -1.7295   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7676   -2.8918    0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4123    1.3539    2.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0752    3.3754    1.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2909    0.9269   -1.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4457    0.9972    0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1947    1.6493   -3.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2677    2.0415    3.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
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 35 53  1  0  0  0  0
M  END
$$$$