Molecule FYI-1001957

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Molecule Summary:

ID: FYI-1001957
SMILES: Cc1ccc(cc1)S(=O)(=O)n2cc(C[C@H](N)CO)c3c(Cl)cccc23

Received at FYIcenter.com on: 2023-01-06

Molecule ID: FYI-1001957 Edit

Molecule Structure SMILES String: Cc1ccc(cc1)S(=O)(=O)n2cc(C[C@H](N)CO)c3c(Cl)cccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1001957
FYIcenter.com

 25 27  0  0  1  0  0  0  0  0999 V2000
    9.3246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5016    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0711    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2481    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8558    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2864    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1093    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    4.5305    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1656    5.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8866    5.9227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.3841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    5.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    3.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345    2.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2650    2.7135    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0671    1.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4364    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732    1.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    3.1717    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  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
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 11  1  0  0  0  0
 25 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001957-3D
FYIcenter.com

 44 46  0  0  1  0  0  0  0  0999 V2000
   -6.0847   -5.3365   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5627   -3.9355   -0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1554   -2.8741    0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6448   -1.5770    0.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5258   -1.3436   -0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9470   -2.3911   -1.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4653   -3.6813   -1.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8445    0.2802   -0.6303 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4403    0.1620   -0.9584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7623    1.0468   -1.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8997    1.0016    0.9202 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9433    1.7907    1.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6736    2.2545    2.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5429    3.2355    3.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1434    4.7109    3.0994 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9672    5.5786    3.9688 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3212    5.1564    1.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6942    5.1152    1.2370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4387    1.6260    3.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6303    1.6349    4.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1214    2.5923    5.5124 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    0.8933    4.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402    0.1273    3.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    0.0835    2.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9873    0.8311    1.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9280   -5.3870    0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2961   -5.9928    0.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4239   -5.7117   -1.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0236   -3.0509    1.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1424   -0.7743    0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0990   -2.2101   -1.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0079   -4.4905   -1.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7665    2.0051    0.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5276    3.0092    4.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5888    3.0744    3.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0915    4.8501    3.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9320    5.5353    3.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6985    6.5509    3.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7343    4.5473    0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9821    6.1911    1.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9643    4.1822    1.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561    0.9192    5.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127   -0.4398    3.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4315   -0.5103    1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  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  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 14  1  0  0  0  0
 15 36  1  1  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-30, 2452👍, 0💬