Molecule FYI-1014514

A

Molecule Summary:

ID: FYI-1014514
Names:
InChIKey: YZOGFRNARBCCAR-UHFFFAOYSA-N
SMILES: CC(=O)N3CCc2cc(S(=O)(=O)N1CCCNCC1)ccc23

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

Molecule ID: FYI-1014514 Edit

Molecule Structure InChIKey: YZOGFRNARBCCAR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)N3CCc2cc(S(=O)(=O)N1CCCNCC1)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014514
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.8121    3.7879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8524    4.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210    5.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7488    2.7475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2179    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8997    0.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2808    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3212    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375    2.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0926    3.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4426    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0100    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7038    2.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1364    4.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5059    4.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
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 22 21  2  0  0  0  0
 22 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014514-3D
FYIcenter.com

 43 45  0     1  0  0  0  0  0999 V2000
    1.8844   -1.8603    0.2968 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0866   -2.3952    1.6357 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945   -2.7149   -0.8631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3335    0.9558    1.9152 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8361   -0.4412    0.1166 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5714    0.3716   -0.2120 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8409    2.5170    0.4361 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6274    0.3053   -1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9048    0.4242    1.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9390    0.9527   -1.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6443   -0.5483   -1.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4977   -0.3444   -2.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725   -1.1932    0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2900   -0.1286    0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1036    1.3701    1.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7657    0.2732   -1.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1977    2.3279   -0.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651   -1.0822   -1.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 21  2  0  0  0  0
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  7 15  1  0  0  0  0
  7 17  1  0  0  0  0
  7 38  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 15  1  0  0  0  0
  9 25  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 43  1  0  0  0  0
M  END
$$$$

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2025-05-12, 478👍, 0💬