Molecule FYI-1002953

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A

Molecule Summary:

ID: FYI-1002953
Names:
InChIKey: GDYFDXDATVPPDR-UHFFFAOYSA-N
SMILES: Nc2ccc(S(=O)(=O)c1ccccc1)cc2

Received at FYIcenter.com on: 2023-04-30

Molecule ID: FYI-1002953 Edit

Molecule Structure InChIKey: GDYFDXDATVPPDR-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ccc(S(=O)(=O)c1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002953
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    0.0000    0.0000 N   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
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002953-3D
FYIcenter.com

 27 28  0     0  0  0  0  0  0999 V2000
    0.4602   -1.4618   -0.0029 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6027   -2.1782   -1.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5182   -2.1933    1.2549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7165    1.4640   -0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0596   -0.6025   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771   -0.2751    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -0.2565   -1.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6682   -0.2620    1.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2741    0.1711    1.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2764    0.1771   -1.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796    0.4302   -1.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8824    0.4245    1.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4881    0.7707   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3099    1.1054    1.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3123    1.1112   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8290    1.5753    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2060   -0.5066   -2.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2119   -0.5134    2.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8779   -0.1779    2.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8822   -0.1636   -2.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3410    0.6954   -2.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3459    0.6858    2.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110    1.4684    2.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150    1.4793   -2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6348    2.3034    0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1554    1.7167   -0.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1571    1.7124    0.8739 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  5  1  0  0  0  0
  1  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
 10 15  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
$$$$

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2023-05-31, 2298👍, 0💬