Molecule FYI-1012960

A

Molecule Summary:

ID: FYI-1012960
Names:
InChIKey: MHVZRKMAEVVTPH-UHFFFAOYSA-N
SMILES: CCc2ccc(NC(=O)c1nc(S(=O)(=O)CC)ncc1Cl)cc2

Received at FYIcenter.com on: 2024-10-31

Molecule ID: FYI-1012960 Edit

Molecule Structure InChIKey: MHVZRKMAEVVTPH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc2ccc(NC(=O)c1nc(S(=O)(=O)CC)ncc1Cl)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1012960
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4250    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 11 13  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012960-3D
FYIcenter.com

 39 40  0     0  0  0  0  0  0999 V2000
    0.9749    3.8943    0.5531 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1491   -1.2957   -0.1539 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5837   -1.3944   -1.5467 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1507   -1.3997    0.9078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292    1.8937   -1.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8909    0.2205    0.2675 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9368    0.1038   -0.2725 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9230    1.2340    0.4922 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9760   -2.6089    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    0.1613    0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9384   -0.7727   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3808   -1.1269   -0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2403   -0.1106    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6224   -3.9693   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3840    0.2178   -0.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1438   -1.4320    0.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768    1.2606   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0349    0.5487   -0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7948   -1.1008    0.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1525    1.1823   -0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2730   -0.2895    0.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8381    2.4280    0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    2.3553    0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5685   -2.4787    1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1702   -2.5088   -0.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7016   -0.9971   -1.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5278   -2.1909   -0.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8859   -4.7595    0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0409   -4.1107   -1.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4352   -4.0967    0.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9943    0.7393   -1.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5642   -2.2042    1.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6874    1.3257   -1.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1873   -1.6224    1.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3781   -0.3101    0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0070   -0.4317    1.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3210   -0.5779    0.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1831    0.7778    0.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7385    3.2161    0.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  5 20  2  0  0  0  0
  6 13  1  0  0  0  0
  6 20  1  0  0  0  0
  6 35  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  2  0  0  0  0
  8 10  2  0  0  0  0
  8 23  1  0  0  0  0
  9 14  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 21  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 16 19  2  0  0  0  0
 16 32  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$

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2024-11-23, 958👍, 0💬