Molecule FYI-1009242

A

Molecule Summary:

ID: FYI-1009242
Names:
InChIKey: OLXNXEXYAAIJON-UHFFFAOYSA-N
SMILES: Cn2c(=O)c(=O)n(C)c1cc(S(=O)(=O)NNC(=O)CCl)ccc12

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009242 Edit

Molecule Structure InChIKey: OLXNXEXYAAIJON-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn2c(=O)c(=O)n(C)c1cc(S(=O)(=O)NNC(=O)CCl)ccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009242
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.9746    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009242-3D
FYIcenter.com

 36 37  0  0  0  0  0  0  0  0999 V2000
    0.9218   -0.1046   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3766   -0.0635   -0.0528 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889    1.1897   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3658    2.2486   -0.0454 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5194    1.2422   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0707    2.3401   -0.0872 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2141    0.0334   -0.0139 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6694    0.0860   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5374   -1.2168   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2584   -2.4217    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6048   -3.6613   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6459   -5.0931    0.0030 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4406   -5.0427   -1.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2739   -5.1456    1.3059 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6588   -6.4452   -0.1223 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2773   -7.7497   -0.0641 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4901   -8.8767   -0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2670   -8.8124   -0.2777 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2395  -10.1944   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7779  -10.0909    0.7388 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2196   -3.7166   -0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4934   -2.5210   -0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1324   -1.2648   -0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    0.8951   -0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5802   -0.6048    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -0.6387   -0.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0451    1.1128   -0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0523   -0.4438   -0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0517   -0.3685    0.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3453   -2.4265    0.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6550   -6.4023   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824   -7.8022    0.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4571  -10.4740   -1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6317  -10.9653    0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6681   -4.6489   -0.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4102   -2.6032   -0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  2  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1066👍, 0💬