Molecule FYI-1002738

A

Molecule Summary:

ID: FYI-1002738
Names:
InChIKey: FXGFHGPYENCEJB-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1N2CCCCC2

Received at FYIcenter.com on: 2023-04-19

Molecule ID: FYI-1002738 Edit

Molecule Structure InChIKey: FXGFHGPYENCEJB-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1N2CCCCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002738
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0623    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  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  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  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 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002738-3D
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    3.7812    1.5034   -0.5704 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8804    0.2279    0.0450 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725   -0.0162    1.3398 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5254    0.6977   -0.1232 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317   -1.1975   -0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8280   -0.9814   -2.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1525    0.2437   -2.6188 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1983   -2.0346   -3.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8771   -1.7962   -4.1355 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8613   -3.3198   -2.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2065   -4.3426   -3.4553 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1390   -3.5520   -1.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7581   -4.8235   -1.2806 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7493   -2.5194   -0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0129   -2.8794    0.5416 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2815   -4.1346    1.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935   -4.9533    1.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0868   -4.1421    2.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3212   -2.8330    1.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9666   -2.0456    1.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4442    1.8453    0.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1477    2.2201   -0.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6461   -3.8809    2.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0721   -4.7493    0.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1815   -5.8769    1.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6361   -5.2429    0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2179   -3.9377    3.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0221   -4.7112    2.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -2.2109    1.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7819   -3.0467    0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312   -1.6252    2.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6679   -1.2431    0.4792 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
  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 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1702👍, 0💬