Molecule FYI-1016567

A

Molecule Summary:

ID: FYI-1016567
Names:
InChIKey: PLWJNYSOUXYBJD-UHFFFAOYSA-N
SMILES: Cc5ccc(S(=O)(=O)NNC4Oc2cc1OCOc1cc2C(c3ccccc3O)C4C)cc5

Received at FYIcenter.com on: 2026-01-21

Molecule ID: FYI-1016567 Edit

Molecule Structure InChIKey: PLWJNYSOUXYBJD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5ccc(S(=O)(=O)NNC4Oc2cc1OCOc1cc2C(c3ccccc3O)C4C)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1016567
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    9.6995    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.4157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.4157    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    7.6281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    7.6281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2030    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5953    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1647    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.5157    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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26  6  1  0  0  0  0
 27  3  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016567-3D
FYIcenter.com

 57 61  0     1  0  0  0  0  0999 V2000
   -3.7402   -1.8585    0.3735 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0490    0.3844    0.5203 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0131    3.8913   -0.5192 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747    4.7169    0.4647 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4537   -1.9052   -2.2524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7180   -2.2149    1.7794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8523   -2.8833   -0.6477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2870   -1.5932    0.1580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4204   -0.8105    0.0315 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1837   -1.6469   -0.0477 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3987   -0.8211   -0.5662 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1074   -0.8255   -0.2454 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2385    0.6662   -0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7112   -1.3877   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1183   -3.0099   -0.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349    1.1739    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2805    1.5634   -0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8878    2.5338    0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1039    2.9017   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655   -1.8981   -0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9419    3.3728    0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9378   -1.3857    1.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8601   -2.4122   -0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324   -1.9001    1.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902    5.0396   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0934   -2.4133    0.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0880   -0.7405    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6488   -0.6348   -1.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5544    0.0058    1.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7112    0.2468   -1.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6168    0.8872    0.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1952    1.0077   -0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3315    1.9500   -0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2928   -1.8304    1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3818   -0.8934   -1.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2186   -0.5651   -1.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -3.5745   -0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3097   -3.6295   -0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9504   -2.8889   -1.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2005   -1.8304    1.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2098    1.2213   -1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0318    2.9182    0.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2074   -0.9819    2.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432    0.0256    0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6178   -2.8152   -1.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3152   -1.8987    2.9147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8675    5.4990    0.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1901    5.7648   -0.8463 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0237   -2.8131    1.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2266   -2.2979   -2.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2815   -1.2124   -1.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1126   -0.0692    2.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1536    0.3317   -2.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9855    1.4747    1.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3358    2.3392   -1.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2821    1.4401   -0.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2596    2.8133    0.1829 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  9  1  0  0  0  0
  1 27  1  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
  4 21  1  0  0  0  0
  4 25  1  0  0  0  0
  5 20  1  0  0  0  0
  5 50  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 40  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 20  1  0  0  0  0
 14 22  2  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
 18 42  1  0  0  0  0
 19 21  2  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 43  1  0  0  0  0
 23 26  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  2  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 51  1  0  0  0  0
 29 31  2  0  0  0  0
 29 52  1  0  0  0  0
 30 32  2  0  0  0  0
 30 53  1  0  0  0  0
 31 32  1  0  0  0  0
 31 54  1  0  0  0  0
 32 33  1  0  0  0  0
 33 55  1  0  0  0  0
 33 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 404👍, 0💬