Molecule FYI-1003349

Home > Molecule

A

Molecule Summary:

ID: FYI-1003349
Names:
InChIKey: CPQUAOFWFOGARR-UHFFFAOYSA-N
SMILES: CCCC(=O)NC(=O)NS(=O)(=O)c1ccccc1

Received at FYIcenter.com on: 2023-06-03

Molecule ID: FYI-1003349 Edit

Molecule Structure InChIKey: CPQUAOFWFOGARR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(=O)NC(=O)NS(=O)(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003349
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.3373    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   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
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   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
    1.2125    2.8000    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
    0.0000    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
    2.4249    0.7000    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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003349-3D
FYIcenter.com

 32 32  0     0  0  0  0  0  0999 V2000
   -1.8110    1.6647   -0.1786 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7938    2.1774    1.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3851    2.4498   -1.2541 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2264   -0.3127    1.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5549    0.5426    1.4902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2327    1.1736   -0.6156 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9709    0.4156   -0.3456 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2567   -0.2514   -0.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5273   -0.7769   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6467    0.1082   -0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1214   -0.0655    0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6889   -0.6211    1.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2642   -0.3907   -1.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6391   -0.9867   -1.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7647    0.6893    0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3487   -1.8493    1.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9240   -1.6189   -1.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9663   -2.3483   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9215   -0.9508   -1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4561    0.7143   -1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8663   -0.0730    0.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3198   -1.7261    0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0355    1.2965   -1.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2122   -0.2550    1.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2376    0.1584   -2.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3426   -1.7147   -1.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8941   -0.0479   -1.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5396   -1.3620   -0.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0092    0.5821   -1.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3807   -2.4178    2.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4036   -2.0083   -2.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4794   -3.3049   -0.0117 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  6  1  0  0  0  0
  1 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 15  2  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 14  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 385👍, 0💬