Molecule FYI-1014523

A

Molecule Summary:

ID: FYI-1014523
Names:
InChIKey: JDVWHFHVHBXTQV-UHFFFAOYSA-N
SMILES: O=CNC3CCN(c2ccc1OCCOCc1c2)S(=O)(=O)C3

Received at FYIcenter.com on: 2025-04-25

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
    4.2184   -1.7332   -1.0750 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7091   -0.3903   -1.3065 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8744   -2.6167   -2.1689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.6229   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2097    2.4498    1.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9397    0.8095    0.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2923   -1.0416    1.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976   -2.6406    2.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5708   -1.0984    2.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3447   -2.3556    1.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0546   -0.8186    0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7088   -2.2428   -1.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1839   -4.1184   -1.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  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
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 872👍, 0💬