Molecule FYI-1016830

A

Molecule Summary:

ID: FYI-1016830
Names:
InChIKey: JVSRBBBANSCOGP-UHFFFAOYSA-N
SMILES: COc1cc(F)ccc1S(=O)(=O)Nc2ccccc2C(C)C

Received at FYIcenter.com on: 2026-03-20

Molecule ID: FYI-1016830 Edit

Molecule Structure InChIKey: JVSRBBBANSCOGP-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cc(F)ccc1S(=O)(=O)Nc2ccccc2C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016830
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016830-3D
FYIcenter.com

 40 41  0  0  0  0  0  0  0  0999 V2000
    7.4857   -2.2559   -0.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5527   -1.7910    0.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5729   -2.4490    1.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7484   -3.0352    1.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7490   -3.6908    2.9996 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8822   -4.2496    3.4451 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5986   -3.7760    3.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4282   -3.1833    3.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4116   -2.5000    2.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8274   -1.8615    1.5370 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8168   -1.7606    0.0955 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8114   -2.6502    2.2097 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7515   -0.2911    2.1229 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596    0.0376    3.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1415    0.2960    4.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171    0.7751    5.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2080    1.0378    6.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9304    0.7824    5.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    0.2468    4.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3068   -0.1028    3.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6937   -1.1399    4.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    1.1244    3.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2376   -1.7891   -1.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4251   -3.3430   -1.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5072   -1.9522   -0.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6895   -2.9963    1.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6152   -4.3063    4.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216   -3.2630    3.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0136    0.4165    1.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0223    0.1444    3.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3134    0.9595    5.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3364    1.4413    7.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0813    1.0042    6.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3228   -0.5550    2.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605   -0.7825    5.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -2.0681    4.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3342   -1.3811    4.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2479    1.6066    4.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5984    0.8315    3.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7980    1.8692    3.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
$$$$

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