Molecule FYI-1002720

A

Molecule Summary:

ID: FYI-1002720
Names:
InChIKey: FFYQSPGIPXYOLF-GFCCVEGCSA-N
SMILES: NS(=O)(=O)c3c(F)c(F)c(S(=O)(=O)CCO)c(N[C@@H]2CCCc1ccccc12)c3F

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

Molecule ID: FYI-1002720 Edit

Molecule Structure InChIKey: FFYQSPGIPXYOLF-GFCCVEGCSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3c(F)c(F)c(S(=O)(=O)CCO)c(N[C@@H]2CCCc1ccccc12)c3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002720
FYIcenter.com

 30 32  0  0  1  0  0  0  0  0999 V2000
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    2.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    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
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    8.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   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
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
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 13 12  1  6  0  0  0
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 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
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 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
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 22 13  1  0  0  0  0
 22 17  1  0  0  0  0
 23 11  2  0  0  0  0
 23  5  1  0  0  0  0
 24 23  1  0  0  0  0
 25 10  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  2  0  0  0  0
 28 25  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002720-3D
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
    4.0906   -0.6328   -0.3992 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7079    0.1766    0.1270 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    1.1779   -0.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307   -0.8364    0.4224 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276    0.9156    1.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0765    2.2594    1.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    3.0817    0.9291 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4678    2.7861    3.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2702    4.0980    3.2636 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0563    1.9881    4.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3876    2.8632    5.5741 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7386    1.9331    6.6231 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2931    3.9432    5.2345 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570    3.5582    6.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0727    4.2776    7.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8412    4.8012    7.9100 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3234    0.6370    3.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0207   -0.2889    4.5663 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2229   -0.0922    5.3931 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2263    0.9222    4.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1880    0.3319    3.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9508   -0.8585    4.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0814   -1.8358    5.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5714   -3.1278    5.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8329   -4.0356    6.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6093   -3.6645    6.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1136   -2.3837    6.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5396   -3.4318    4.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2256   -5.0334    6.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0378   -4.3597    7.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -2.0939    6.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  2  0  0  0  0
  6  7  1  0  0  0  0
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 11 12  2  0  0  0  0
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 26 48  1  0  0  0  0
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 27 49  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 2602👍, 0💬