Molecule FYI-1013427

A

Molecule Summary:

ID: FYI-1013427
Names:
InChIKey: CZMMFMAKJHQNAH-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c3ccc(NC(=O)CCc2nc1ccccc1o2)cc3

Received at FYIcenter.com on: 2024-12-11

Molecule ID: FYI-1013427 Edit

Molecule Structure InChIKey: CZMMFMAKJHQNAH-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3ccc(NC(=O)CCc2nc1ccccc1o2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013427
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    5.6959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7152    4.4835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    6.3959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    6.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  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 18  1  0  0  0  0
 24 23  1  0  0  0  0
 24 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013427-3D
FYIcenter.com

 39 41  0     0  0  0  0  0  0999 V2000
   -4.9773   -0.8163   -0.0460 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4986    0.2555   -1.0636 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3662    3.3947   -0.9273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3617   -1.4610    1.2018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8686    0.1567   -0.6621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3338    1.7124    0.7137 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8330    0.1240    0.7636 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6020   -2.0220   -1.1970 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3505    2.3581   -0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    3.1419    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2648    0.8958   -0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8719    2.7815    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9327    1.1093    0.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5953   -1.0590   -0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -1.1356    0.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4136   -0.0720    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2977    0.0433    1.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7823    1.5969   -0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5467   -0.5513    1.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0314    1.0023   -0.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981   -2.1494   -1.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6715   -2.3924    0.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2665   -3.3958   -0.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860   -3.5174    0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3336    2.6914    0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2964    2.6270   -1.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    2.9455    1.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4114    4.2188    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001    1.3049    1.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287   -0.3394    2.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5592    2.4225   -1.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -1.3911    1.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6890    1.3871   -1.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3652   -2.0443   -2.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3048   -2.4983    1.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8284   -4.2894   -1.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2723   -4.5023    0.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9512   -1.8924   -2.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6060   -2.9998   -0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 29  1  0  0  0  0
  7 11  2  0  0  0  0
  7 15  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-12-18, 475👍, 0💬