Molecule FYI-1014581

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A

Molecule Summary:

ID: FYI-1014581
Names:
InChIKey: RKWGIWYCVPQPMF-UHFFFAOYSA-N
SMILES: CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1

Received at FYIcenter.com on: 2025-04-29

Molecule ID: FYI-1014581 Edit

Molecule Structure InChIKey: RKWGIWYCVPQPMF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014581
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    5.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    2.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    2.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    2.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    5.4124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    5.4124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 11  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  7 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014581-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
    4.2498   -2.8279   -0.1742 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3928    2.0876    0.1512 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2245    2.6187   -1.1877 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8819    2.9342    1.2221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8268    0.6013   -1.4333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0584    1.3325    0.6475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0756    0.1610    0.4616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1500   -0.5466   -0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824    0.6989    0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8887   -2.0454   -0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9921    0.6815   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5900    0.0020   -1.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2081    0.3339    1.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7448   -2.6996    1.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498   -1.0939   -1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0680   -0.7621    1.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889   -1.4760   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2872   -0.1360   -1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0636   -0.3500    0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7180   -2.5201   -0.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9782   -2.2330   -0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2938    1.3884    1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1174    0.2749    1.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207    0.2812   -2.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1223    0.8712    2.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6344   -2.5257    1.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6173   -3.7810    0.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8730   -2.3156    1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5332   -1.6417   -2.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364   -1.0495    1.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 1618👍, 0💬