Molecule FYI-1003659

A

Molecule Summary:

ID: FYI-1003659
Names:
InChIKey: RUUDCOKQOWUEFZ-UHFFFAOYSA-N
SMILES: CN5CC(n1nccc1c2cc(Cl)ccc2Oc4cc(F)c(S(=O)(=O)Nc3cncs3)cc4F)C5

Received at FYIcenter.com on: 2023-07-15

Molecule ID: FYI-1003659 Edit

Molecule Structure InChIKey: RUUDCOKQOWUEFZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CN5CC(n1nccc1c2cc(Cl)ccc2Oc4cc(F)c(S(=O)(=O)Nc3cncs3)cc4F)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003659
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
   10.5285    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3159    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3159    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5285    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7408    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7408    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9533    6.3543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1657    7.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6533    5.1418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2533    7.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3781    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5286    7.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1035    3.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8911    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8911    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6787    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4662    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4662    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6786    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2538    6.3545    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6786    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5244    4.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8938    4.6709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5938    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6570    6.9237    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5288    2.1543    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9786    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8112    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    3.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9671    1.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 11 25  1  0  0  0  0
 11 22  2  0  0  0  0
  1 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 21 30  2  0  0  0  0
 21 27  1  0  0  0  0
 27 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 31 34  1  0  0  0  0
 31 32  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003659-3D
FYIcenter.com

 53 57  0  0  0  0  0  0  0  0999 V2000
    9.9673    2.7326   -2.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9894    1.7734   -2.1760 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4538    2.1854   -0.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6850    0.7312   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4435   -0.0024   -0.3768 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8225   -0.2977   -1.5444 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6976   -0.9023   -1.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5930   -1.0234    0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514   -0.4619    0.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1527   -0.4705    2.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7311   -1.6074    2.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0110   -1.7657    4.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4856   -3.1772    5.1050 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6972   -0.7828    4.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0842    0.3683    4.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8683    0.5198    2.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3105    1.6813    2.2854 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5320    2.2254    2.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6281    1.4719    3.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7557    2.1172    3.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7529    1.3642    4.1103 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8311    3.5058    3.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1476    4.3177    4.4980 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7461    5.7066    4.6727 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4870    3.5052    5.6418 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4918    4.2890    3.4700 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2103    4.4300    2.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8560    5.5936    1.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5677    5.4358    0.0910 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7599    4.1797   -0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3231    3.1362    0.9894 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8035    4.2602    3.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6687    3.6124    2.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6885    4.3488    2.0339 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6312    0.6111   -1.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4421    3.5859   -3.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5680    2.2749   -3.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6461    3.1084   -1.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4166    2.5417   -0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0399    2.9351   -0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2316    0.6188    0.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0121   -1.2364   -1.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830   -1.4937    0.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1732   -2.4027    2.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9282   -0.8957    6.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768    1.1484    4.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6056    0.3859    3.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0532    3.4694    3.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917    6.5808    1.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5837    3.8162   -1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8549    5.3453    3.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5922   -0.3239   -2.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6768    0.7686   -1.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  2  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  2  0  0  0  0
 19 20  2  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 32 33  1  0  0  0  0
 32 51  1  0  0  0  0
 33 34  1  0  0  0  0
 35 52  1  0  0  0  0
 35 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 1162👍, 0💬