Molecule FYI-1002713

A

Molecule Summary:

ID: FYI-1002713
Names:
InChIKey: GMAUQXDKBYWXEA-QUCCMNQESA-N
SMILES: NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1N[C@H](c2ccccc2)[C@@H](O)c3ccccc3

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

Molecule ID: FYI-1002713 Edit

Molecule Structure InChIKey: GMAUQXDKBYWXEA-QUCCMNQESA-N

Molecule Structure SMILES String: NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1N[C@H](c2ccccc2)[C@@H](O)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002713
FYIcenter.com

 33 35  0  0  1  0  0  0  0  0999 V2000
    8.5574    5.6464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3350    6.3522    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0408    7.5746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6291    5.1297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124    7.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124    8.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3350    9.1754    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8899    9.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8899   10.5870    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674    8.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2225   11.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2225   12.7044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5975    6.6682    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3679    6.1924    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
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 20 19  1  0  0  0  0
 20 21  1  6  0  0  0
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 33 32  2  0  0  0  0
 33 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002713-3D
FYIcenter.com

 54 56  0  0  1  0  0  0  0  0999 V2000
    1.2004   -1.0412   -7.9088 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -0.7075   -6.2990 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739    0.6987   -6.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4340   -1.2339   -5.5158 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9645   -1.6615   -5.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186   -3.0315   -6.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6616   -3.5403   -6.6394 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598   -3.9021   -5.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629   -5.2167   -6.1046 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0812   -3.4247   -5.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256   -4.5776   -5.1958 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8400   -4.2405   -3.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9385   -5.1980   -2.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1374   -5.0108   -3.7294 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2190   -2.0427   -5.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4196   -1.5803   -4.8628 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1600   -1.1231   -5.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2717    0.2201   -5.0842 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0015    0.7069   -3.8705 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3398    0.3506   -2.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3619   -0.6505   -2.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8315   -1.0029   -1.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2578   -0.3525    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3178    2.2467   -4.0695 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  2  0  0  0  0
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  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
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  8 10  1  0  0  0  0
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 23 24  2  0  0  0  0
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 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  1  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  2  0  0  0  0
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 29 50  1  0  0  0  0
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 33 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 397👍, 0💬