Molecule FYI-1002690

A

Molecule Summary:

ID: FYI-1002690
Names:
InChIKey: OLTMJLATLWYQJF-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2c(F)c(F)c(S(=O)(=O)CCO)c(NCc1ccccc1)c2F

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

Molecule ID: FYI-1002690 Edit

Molecule Structure InChIKey: OLTMJLATLWYQJF-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2c(F)c(F)c(S(=O)(=O)CCO)c(NCc1ccccc1)c2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002690
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    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
    7.2746    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1076    6.1550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1746    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    9.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 N   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  5  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
  1 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 14 15  1  0  0  0  0
  9 20  2  0  0  0  0
  9 21  2  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 25  2  0  0  0  0
  7 26  2  0  0  0  0
  7 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002690-3D
FYIcenter.com

 42 43  0     0  0  0  0  0  0999 V2000
    0.6081   -2.3158    0.5729 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2066    1.6545   -0.1962 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3998    2.3866    0.3962 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1932   -3.0118   -0.0167 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2784   -1.3110   -0.3499 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6392   -1.6791    1.3776 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0439   -3.5899    0.9897 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4991   -2.9837   -0.2544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4364    0.9360    0.1052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9055    2.8974    0.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7355    0.7071    0.7416 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1298    1.9353   -1.8796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7166   -1.1893    0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5178    0.1875    0.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2729   -2.5170   -1.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8624    0.5600    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5906    1.0622    0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882   -1.6912    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0611   -0.8167   -0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2635    1.8980    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482   -3.4748   -1.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444    1.8091   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5800    2.2780    0.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2935    1.2570   -1.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9652    2.1949    0.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6785    1.1738   -1.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5143    1.6428   -0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5879   -1.5245   -1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4710   -2.8851   -1.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    0.1223    1.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0016    2.7805    0.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8169    2.0523   -0.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1546   -4.4614   -0.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8311   -3.5846   -2.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1646    2.7084    1.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6535    0.8861   -1.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8655    1.5227   -2.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8182    2.8621   -2.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2252   -3.6286   -0.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6159    2.5595    1.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1061    0.7429   -2.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5926    1.5776   -0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  8 21  1  0  0  0  0
  8 39  1  0  0  0  0
 11 14  1  0  0  0  0
 11 20  1  0  0  0  0
 11 30  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 17  2  0  0  0  0
 15 21  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 35  1  0  0  0  0
 24 26  2  0  0  0  0
 24 36  1  0  0  0  0
 25 27  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 634👍, 0💬