Molecule FYI-1002730

A

Molecule Summary:

ID: FYI-1002730
Names:
InChIKey: MVBNIRJBXBPKFD-GFCCVEGCSA-N
SMILES: NS(=O)(=O)c1c(F)c(F)cc(F)c1N[C@@H]3CCc2ccccc23

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

Molecule ID: FYI-1002730 Edit

Molecule Structure InChIKey: MVBNIRJBXBPKFD-GFCCVEGCSA-N

Molecule Structure SMILES String: NS(=O)(=O)c1c(F)c(F)cc(F)c1N[C@@H]3CCc2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002730
FYIcenter.com

 23 25  0  0  1  0  0  0  0  0999 V2000
    2.2264    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6514    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8638    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8638    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0762    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2886    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0762    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8638    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8638    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6514    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    8.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    6.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    6.4229    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 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  1  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  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 15  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002730-3D
FYIcenter.com

 36 38  0  0  1  0  0  0  0  0999 V2000
    2.2452   -0.8427    0.5770 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6769   -0.1387    0.0568 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5237    1.2754    0.3192 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7543   -0.8981    0.6457 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609   -0.4272   -1.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401   -1.7767   -2.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5751   -2.7477   -1.1204 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764   -2.1388   -3.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6526   -3.4327   -3.7265 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7352   -1.1698   -4.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7589    0.1749   -3.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.0724   -4.9871 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381    0.6019   -2.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6952    1.9503   -2.2913 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2328    3.0291   -3.1157 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7600    2.9079   -3.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3481    4.3248   -3.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3409    5.0470   -2.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4819    6.2768   -1.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3918    6.7944   -1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1783    6.0925   -1.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0432    4.8590   -1.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1382    4.3360   -2.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031   -0.1742    1.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4412   -1.7195    1.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7549   -1.4509   -5.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8084    2.1417   -1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7025    3.1405   -4.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0177    2.4002   -4.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2050    2.3138   -2.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3986    4.7681   -4.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417    4.3263   -2.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4161    6.8270   -1.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4816    7.7509   -0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3374    6.5113   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1041    4.3154   -1.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  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 13  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  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 28  1  6  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1842👍, 0💬