Molecule FYI-1002335

A

Molecule Summary:

ID: FYI-1002335
Names:
InChIKey: UGMGYZFBDFMWRK-UHFFFAOYSA-N
SMILES: N#Cc2ccc(N(C(=O)O)C(=O)C(O)(O)CS(=O)(=O)c1ccc(F)cc1)cc2C(F)(F)F

Received at FYIcenter.com on: 2023-02-28

Molecule ID: FYI-1002335 Edit

Molecule Structure InChIKey: UGMGYZFBDFMWRK-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc2ccc(N(C(=O)O)C(=O)C(O)(O)CS(=O)(=O)c1ccc(F)cc1)cc2C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002335
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    9.1871    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    4.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    7.6999    0.0000 O   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  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  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
 22 21  1  0  0  0  0
 23 22  3  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 29 18  1  0  0  0  0
 17 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002335-3D
FYIcenter.com

 44 45  0  0  0  0  0  0  0  0999 V2000
   -2.6094    0.3495   -2.4171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5246    0.2265   -2.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855    0.1032   -1.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3097    1.1482   -0.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131    1.1179   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4591    0.0188   -0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8154   -0.0262    0.1264 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4442    1.1835    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1310    1.8169   -0.3785 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0610    1.7293    1.5933 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116   -1.2540    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9359   -2.3445    0.2753 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0717   -1.2199    0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6254   -0.4811   -0.6842 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2883   -0.5677    1.6254 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6073   -2.6654    0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719   -2.7259    0.5457 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9909   -2.0127   -0.5535 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -2.4069    1.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8031   -4.4458    0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1142   -4.8888   -0.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5445   -6.2028   -1.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6719   -7.0546   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0938   -8.3112   -0.2956 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3850   -6.6151    1.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9545   -5.3006    1.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.0173   -1.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6486   -0.9847   -1.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2766   -2.1428   -2.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9573   -2.0733   -3.2243 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470   -2.2539   -3.7132 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3293   -3.3390   -2.0209 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3191    2.0156   -0.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9209    1.9827    0.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5370    1.1066    2.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6672   -1.0142   -1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7600   -1.1542    2.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3688   -3.1644   -0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1971   -3.2430    1.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0603   -4.2156   -1.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8027   -6.5617   -2.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5207   -7.2967    2.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7749   -4.9536    2.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5709   -1.8742   -1.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  2  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-04, 412👍, 0💬