Molecule FYI-1003242

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A

Molecule Summary:

ID: FYI-1003242
Names:
InChIKey: NUOSUXKIGQANEH-UHFFFAOYSA-N
SMILES: Cc2ccc(S(=O)(=O)c1ccc(N)cc1)cc2

Received at FYIcenter.com on: 2023-05-27

Molecule ID: FYI-1003242 Edit

Molecule Structure InChIKey: NUOSUXKIGQANEH-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2ccc(S(=O)(=O)c1ccc(N)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003242
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 13 16  1  0  0  0  0
  6 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003242-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
    0.0067    1.6220    0.0003 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0117    2.3535   -1.2586 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724    2.3515    1.2601 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8186   -1.8717   -0.0046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4143    0.6077    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4411    0.5802   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9808    0.2024    1.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9832    0.2026   -1.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9830    0.1867   -1.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847    0.1856    1.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6847   -1.0134    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1159   -0.6083    1.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1184   -0.6080   -1.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1114   -0.6332   -1.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133   -0.6342    1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765   -1.0435   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8988   -1.8797    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5508    0.5017    2.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5557    0.4989   -2.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5525    0.4904   -2.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5563    0.4848    2.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5482   -0.9171    2.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5526   -0.9172   -2.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5402   -0.9468   -2.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5435   -0.9491    2.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9177   -2.5343   -0.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9214   -2.5278    0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8017   -1.2610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2276   -2.1708    0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2265   -2.1702   -0.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  2  0  0  0  0
  8 19  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  0  0  0  0
 10 15  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1852👍, 0💬