Molecule FYI-1003368

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A

Molecule Summary:

ID: FYI-1003368
Names:
InChIKey: XDUXYYDDHASTLI-UHFFFAOYSA-N
SMILES: CCCNC(=O)NS(=O)(=O)c1ccccc1

Received at FYIcenter.com on: 2023-06-07

Molecule ID: FYI-1003368 Edit

Molecule Structure InChIKey: XDUXYYDDHASTLI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCNC(=O)NS(=O)(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003368
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.3373    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   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
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    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
    1.2125    2.8000    0.0000 C   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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   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
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003368-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
    1.0115    1.7504    0.1817 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9387    2.3406   -1.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6620    2.4575    1.2678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4639    0.7621   -1.4127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7602    0.5176    0.4857 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5541    1.2745    0.6765 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9553    0.0477   -0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9877   -1.4703   -0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8132    0.1815    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6018    0.8390   -0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860   -0.5093   -1.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4729   -0.3663    1.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9622   -2.1774    1.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181   -1.7477   -1.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1051   -1.6047    1.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0777   -2.2953   -0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0184    0.5047   -1.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8100    0.4002    0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8966   -1.7620   -0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -1.8130   -0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7719    0.6095    1.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7671    1.3469    1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2752   -0.1031   -2.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.1502    2.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0289   -1.9830    1.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7973   -1.8529    1.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -3.2596    0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3958   -2.2862   -2.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -2.0323    1.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5693   -3.2599   -0.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 23  1  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-01, 1603👍, 0💬