Molecule FYI-1002859

A

Molecule Summary:

ID: FYI-1002859
Names:
InChIKey: HZSYWLUXRWAWOM-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c1cc(C(=O)NCCCO)c(Cl)cc1NCc2ccccc2

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

Molecule ID: FYI-1002859 Edit

Molecule Structure InChIKey: HZSYWLUXRWAWOM-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c1cc(C(=O)NCCCO)c(Cl)cc1NCc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002859
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.1244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    8.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    5.7876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    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 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  7  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 18  5  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002859-3D
FYIcenter.com

 46 47  0  0  0  0  0  0  0  0999 V2000
    3.6021   -0.0802    1.1448 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992   -0.2538   -0.3725 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076   -1.3632   -0.9737 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4635   -0.2655   -0.2184 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3368    1.2331   -1.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1192    1.0817   -2.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4355    2.1805   -3.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2323    1.9008   -4.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188    0.9550   -4.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0415    2.7211   -5.5368 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7919    2.5695   -6.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1007    3.3578   -6.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1052    2.9200   -5.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4047    1.5380   -5.8279 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9803    3.4440   -2.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3481    4.9078   -3.6981 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2064    3.5861   -1.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793    2.5027   -0.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1459    2.7077    0.3308 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9864    4.0888    0.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6014    4.1975    2.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8055    3.1593    3.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    3.3627    4.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740    4.6133    5.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9504    5.6528    4.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1642    5.4464    2.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3670   -0.7482    1.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598    0.8868    1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754    0.0935   -2.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4338    3.5285   -5.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1464    2.9402   -7.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9722    1.5057   -6.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8916    4.4265   -6.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5603    3.2307   -7.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7445    3.1201   -4.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0380    3.4786   -5.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6608    1.0546   -5.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8527    4.5895   -1.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2428    2.2224    0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2430    4.6116    0.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9479    4.6151    0.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1546    2.1861    2.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7700    2.5568    5.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0338    4.7765    6.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365    6.6290    4.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    6.2790    2.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  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 18  2  0  0  0  0
  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-09, 734👍, 0💬