Molecule FYI-1014238

A

Molecule Summary:

ID: FYI-1014238
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-1014238 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-1014238
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-1014238-3D
FYIcenter.com

 39 41  0  0  1  0  0  0  0  0999 V2000
    5.1214    1.4239    6.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5594    3.0152    6.0168 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1275    2.9300    5.7921 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959    4.0154    6.9215 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3538    3.2488    4.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9532    2.1693    3.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6293    2.2699    2.0553 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9931    1.2280    1.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2456   -0.2456    1.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6748    0.3922    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0949    2.2319    2.0882 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8987    2.9544    1.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2977    2.6882    1.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5069    3.0775    1.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6846    2.7340    1.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6398    2.0313    2.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4192    1.6244    3.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2768    1.9467    2.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8795    1.6227    3.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5419    0.9686    4.0187 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6987    1.2532    7.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2107    1.4315    6.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7660    0.6461    5.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4294    3.2834    4.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0442    4.2358    4.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8637    2.2088    3.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1430    1.1770    3.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3700    3.2522    1.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9633    1.5075    0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3844   -0.9088    1.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0231   -0.5500    2.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0984    0.1486   -0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7373    0.4711   -0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6626    4.0211    1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7107    2.5716    0.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5565    3.6330    0.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6505    3.0179    1.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5649    1.7977    3.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3605    1.0826    4.3847 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, 903👍, 0💬