Molecule FYI-1014237

A

Molecule Summary:

ID: FYI-1014237
Names:
InChIKey: YWYSUXHODDHFHO-CQSZACIVSA-N
SMILES: CS(=O)(=O)CC[C@H](C1CC1)N3Cc2ccccc2C3=O

Received at FYIcenter.com on: 2025-03-14

Molecule ID: FYI-1014237 Edit

Molecule Structure InChIKey: YWYSUXHODDHFHO-CQSZACIVSA-N

Molecule Structure SMILES String: CS(=O)(=O)CC[C@H](C1CC1)N3Cc2ccccc2C3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014237
FYIcenter.com

 20 22  0  0  1  0  0  0  0  0999 V2000
    8.4656    1.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1656    2.8959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2282    6.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282    6.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2098    0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3780    2.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8656    4.1083    0.0000 O   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
  8  6  1  0  0  0  0
  5  9  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  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
 17  9  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
 19  2  1  0  0  0  0
 20  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014237-3D
FYIcenter.com

 39 41  0  0  1  0  0  0  0  0999 V2000
    5.4293   -0.4649    6.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7785    1.1893    6.7063 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3374    1.1028    6.5540 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3505    1.9178    7.8260 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4517    1.9011    5.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9706    1.1920    3.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5962    1.7627    2.6691 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0599    1.0208    1.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2386    1.5231    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858    1.5868    0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0575    1.7334    2.6686 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8378    2.7937    2.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2430    2.3685    2.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4312    3.0036    1.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6267    2.3929    2.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6207    1.1674    3.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4178    0.5256    3.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2526    1.1463    2.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625    0.7242    3.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5353   -0.3000    3.7442 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0949   -0.9280    7.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5185   -0.4167    6.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0431   -1.0355    5.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5390    1.8751    5.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1386    2.9504    5.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8777    1.2685    3.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724    0.1185    4.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3091    2.8204    2.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0953   -0.0561    1.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3979    0.7808   -0.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7427    2.4625   -0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1235    0.9032    0.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5054    2.5694    0.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6040    3.7452    2.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6329    2.8316    0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4447    3.9517    1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5767    2.8742    2.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5628    0.7195    3.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3916   -0.4160    3.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  6  1  0  0  0  0
  7 28  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 1582👍, 0💬