Molecule Editor

Molecule ID: FYI-1014523 Edit

Molecule Structure InChIKey: JDVWHFHVHBXTQV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=CNC3CCN(c2ccc1OCCOCc1c2)S(=O)(=O)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014523
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
   12.7665    5.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5541    4.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3416    5.0729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292    4.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167    5.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042    4.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042    2.9729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167    2.2729    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167    1.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167    1.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4918    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2793    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9723    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6075    0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6075    2.8342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9723    3.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2793    0.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4918    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 22 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014523-3D
FYIcenter.com

 40 42  0  0  1  0  0  0  0  0999 V2000
    2.3499    1.1874    3.0789 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9570    1.4239    2.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3975    0.4866    1.1483 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1716   -0.9478    1.3214 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3336   -1.6379    2.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6053   -1.7914    1.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2672   -2.5073   -0.0102 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1127   -3.5452   -0.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3681   -3.2680   -1.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1985   -4.3210   -1.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7728   -5.6402   -1.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6441   -6.6418   -1.5911 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0030   -7.4138   -0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0036   -8.5352   -0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7426   -8.0514    0.3304 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0149   -7.3491   -0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4916   -5.9288   -0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6653   -4.8654   -0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1393   -6.7638    0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9767   -7.8644   -0.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4079   -9.1696    0.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8433   -9.1668   -1.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9593   -7.3742   -0.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0802   -7.8567   -1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6716   -5.0642    0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529   -2.6444    0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0306   -1.0690   -0.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  2  0  0  0  0
  9 10  2  0  0  0  0
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 17 18  1  0  0  0  0
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 19 21  2  0  0  0  0
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 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
$$$$