Molecule FYI-1002725

A

Molecule Summary:

ID: FYI-1002725
Names:
InChIKey: VFRAWCIYTNHDDN-UHFFFAOYSA-N
SMILES: COc2ccc(CNc1c(F)c(S(N)(=O)=O)c(F)c(F)c1S(=O)(=O)CCO)cc2OC

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

Molecule ID: FYI-1002725 Edit

Molecule Structure InChIKey: VFRAWCIYTNHDDN-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2ccc(CNc1c(F)c(S(N)(=O)=O)c(F)c(F)c1S(=O)(=O)CCO)cc2OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1002725
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 12  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 27 24  2  0  0  0  0
 28  6  1  0  0  0  0
 29 28  2  0  0  0  0
 29  3  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002725-3D
FYIcenter.com

 50 51  0     0  0  0  0  0  0999 V2000
   -0.1142    2.9146   -0.1583 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2376   -1.8289    0.0255 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9361   -1.5691   -1.8170 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    2.6274    1.6621 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1980    0.5891    1.7527 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4848    2.9869   -1.4821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820    4.0787    0.4021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8701    3.6773   -0.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4725   -1.3319    0.6148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2668   -2.4752   -1.2788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240   -3.0016    1.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0262   -1.4808    1.1533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4679   -1.9461 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4768   -2.8765    1.1403 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2507    1.5823   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1322    0.5110   -1.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685    2.4202    0.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507   -0.5377   -0.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0879   -0.5151   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2877    1.6049    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6136   -0.7380   -2.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2064    0.5563    0.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584    3.4692    1.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7777   -0.9360   -1.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7112   -1.8844   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9333   -0.1734   -1.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8004   -2.0704    0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0224   -0.3593   -0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9560   -1.3078    0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071   -3.7383    1.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1687   -0.6613    0.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7086    2.2494    1.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    1.4807    0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0023   -0.6099   -3.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8516    4.4250    1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7867   -2.4457   -0.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9958    0.5704   -2.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8996   -2.9703    2.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6214   -4.4310    2.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3264   -4.3484    0.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595   -3.0868    1.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9222   -0.9319    1.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9419    0.4002    1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6092   -0.8614   -0.0699 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 15  1  0  0  0  0
  1 17  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
  2 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 18  1  0  0  0  0
  4 20  1  0  0  0  0
  5 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 44  1  0  0  0  0
 11 27  1  0  0  0  0
 11 30  1  0  0  0  0
 12 29  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  1  0  0  0  0
 13 21  1  0  0  0  0
 13 34  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
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 17 23  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 39  1  0  0  0  0
 26 28  2  0  0  0  0
 26 40  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 41  1  0  0  0  0
 30 45  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1090👍, 0💬