Molecule FYI-1015847

A

Molecule Summary:

ID: FYI-1015847
Names:
InChIKey: IIAOFEXWRQHHRF-UHFFFAOYSA-N
SMILES: CN(C(=O)c2cncc(S(=O)(=O)C1CC1)c2)c4ccc3c(=O)ccc(=O)c3c4

Received at FYIcenter.com on: 2025-10-21

Molecule ID: FYI-1015847 Edit

Molecule Structure InChIKey: IIAOFEXWRQHHRF-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C(=O)c2cncc(S(=O)(=O)C1CC1)c2)c4ccc3c(=O)ccc(=O)c3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015847
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.6746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.7876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.0000    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  2  0  0  0  0
 16  5  1  0  0  0  0
 17  2  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 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 20  1  0  0  0  0
 28 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015847-3D
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.0500    0.1025   -0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857   -0.1709    0.0093 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1391   -1.3153   -0.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3471   -1.5401   -0.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3840   -2.3831   -1.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1705   -2.8764   -0.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4154   -3.7760   -1.4486 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9197   -4.2430   -2.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823   -3.9216   -3.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6682   -4.4533   -4.6896 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4503   -4.5766   -5.4715 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7249   -3.5683   -5.1273 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4074   -6.1054   -4.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5503   -7.2026   -4.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7802   -6.7454   -3.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299   -2.9729   -2.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2188    0.8404    0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5838    1.0836    0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2780    2.0617    1.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176    2.8122    2.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3551    3.8217    3.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5322    4.0770    2.8072 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6251    4.5208    4.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3298    4.3050    4.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5538    3.3491    3.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3482    3.2105    3.7018 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2630    2.5979    2.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5658    1.6356    1.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6137   -0.4594   -0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987    1.1607   -0.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5237   -0.1500    0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7327   -2.5456    0.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387   -4.8765   -3.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9924   -6.3382   -5.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5814   -8.1650   -4.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5818   -6.9799   -3.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6398   -7.4075   -3.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493   -6.2230   -2.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9083   -2.6571   -2.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1454    0.5459   -0.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3363    2.2237    1.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2004    5.2244    4.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7904    4.8114    5.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5098    1.4954    1.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  2  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 44  1  0  0  0  0
M  END
$$$$

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2025-10-24, 641👍, 0💬