Molecule FYI-1002837

A

Molecule Summary:

ID: FYI-1002837
Names:
InChIKey: FYPYZSIHTPQQDJ-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2cc(C(=O)NC1CCCCC1)c(Cl)cc2Cl

Received at FYIcenter.com on: 2023-04-24

Molecule ID: FYI-1002837 Edit

Molecule Structure InChIKey: FYPYZSIHTPQQDJ-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2cc(C(=O)NC1CCCCC1)c(Cl)cc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002837
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8501    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4501    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2501    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  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  1  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 10 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002837-3D
FYIcenter.com

 37 38  0     0  0  0  0  0  0999 V2000
   -0.0248    3.5307    0.2785 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5760    0.9570    1.2351 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3678   -1.7268   -0.1044 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.6430   -1.8771 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4846   -1.4932   -1.0058 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6094   -2.2241    1.2405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8543   -0.0616   -0.4015 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2353   -2.7458   -0.8754 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2181   -0.2416   -0.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6548   -1.7038   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    0.6965   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8613   -2.1160    0.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3764    0.2804    1.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8213   -1.1745    1.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0078    0.8797   -0.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3709    0.9216   -0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1435   -0.2373   -0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8990    2.0758    0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -0.2425    0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721    0.9117    0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1996    2.0706    0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2502    0.0214   -1.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5972   -1.8479   -1.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9154   -2.3677   -1.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8011    1.7284   -0.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1443    0.6931   -0.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8998   -2.1336    1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2563   -3.1378    0.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1269    0.9304    1.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4444    0.4227    1.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8259   -1.2819    1.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8928   -1.4581    2.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226   -0.6143    0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6871   -1.1021   -0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6109    2.9712    1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134   -3.0028   -1.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8152   -3.4999   -0.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 33  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

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2023-05-31, 716👍, 0💬