Molecule FYI-1004534

A

Molecule Summary:

ID: FYI-1004534
Names:
InChIKey: WGAANXLUBNGIEC-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c1ccccc1CNC(=O)c2cc(F)cc3[nH]ccc23

Received at FYIcenter.com on: 2023-09-13

Molecule ID: FYI-1004534 Edit

Molecule Structure InChIKey: WGAANXLUBNGIEC-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c1ccccc1CNC(=O)c2cc(F)cc3[nH]ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1004534
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.2165    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8165    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6165    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7918    6.9999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  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  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  2  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18  3  1  0  0  0  0
 19  2  2  0  0  0  0
 20  2  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 13 23  1  0  0  0  0
 12 21  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004534-3D
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.7636   -2.0393   -4.1061 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7121   -1.1365   -2.6842 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2949    0.1415   -3.0153 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3356   -1.2698   -2.2513 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8184   -2.0136   -1.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152   -2.2380   -2.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1051   -2.8109   -1.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8135   -3.1479    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217   -2.9540    0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4867   -2.4077   -0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.3949    0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4685   -1.1014    0.3909 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980   -0.3153    1.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1942   -0.5574    2.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3252    0.9095    1.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1926    2.1120    1.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    3.2844    1.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0677    4.4130    2.3767 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7376    3.3333    1.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2541    2.1136    0.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3594    1.8194   -0.0912 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7195    0.5188    0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6102   -0.1140    0.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6334    0.8901    0.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1477   -1.4588   -4.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8244   -2.3852   -4.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3628   -1.9557   -3.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1037   -2.9738   -1.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5881   -3.5677    0.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3236   -3.2371    1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1187   -2.8209    1.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4515   -3.0530   -0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0730   -0.8146   -0.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1566    2.1296    2.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2674    4.2694    0.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8602    2.4779   -0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7018    0.1542   -0.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5372   -1.1693    0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  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 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  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
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  2  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 916👍, 0💬