Molecule FYI-1004782

A

Molecule Summary:

ID: FYI-1004782
Names:
InChIKey: PSXOKXJMVRSARX-UHFFFAOYSA-N
SMILES: O=S(=O)(NC(CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004782 Edit

Molecule Structure InChIKey: PSXOKXJMVRSARX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S(=O)(NC(CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004782
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    7.4210    4.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    2.2306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    3.1246    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.3124    0.0000 F   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  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004782-3D
FYIcenter.com

 30 30  0     1  0  0  0  0  0999 V2000
   -4.1730    3.0376    0.6484 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4726   -2.0313    0.3533 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6918    0.5087    1.1295 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1988    1.2942   -2.1980 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1580    0.7089   -1.4359 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385    2.5714   -0.7774 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    1.9516    1.6299 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3245    0.0286    1.1788 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5232    0.1215    2.4002 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6926   -3.0879   -1.0165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1380   -2.5045    1.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4308   -2.8344   -0.8530 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1174   -1.5411    0.7383 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9196   -0.8945   -0.3366 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2970    0.5549    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270   -1.7834   -0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840    1.2822   -1.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1404    0.6663    1.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3747   -0.5651   -0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8516   -0.1571   -1.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5142    1.0990   -1.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5009    1.5746    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128   -0.8556   -1.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632    1.0949    0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3102   -1.2216    1.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7176   -1.4095   -1.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -1.9107    0.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1716   -3.4440   -0.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7444   -0.7092   -2.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9748    1.6226   -2.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4 17  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 18  1  0  0  0  0
  9 18  1  0  0  0  0
 10 16  1  0  0  0  0
 10 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 22  2  0  0  0  0
 21 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-11, 1887👍, 0💬