Molecule FYI-1012560

A

Molecule Summary:

ID: FYI-1012560
Names:
InChIKey: GOSBTFMDBPGRGV-OVCLIPMQSA-N
SMILES: O=C(/C=C/c1ccc(O)cc1)Nc3ccc(NS(=O)(=O)c2ccccc2)cc3

Received at FYIcenter.com on: 2024-09-20

Molecule ID: FYI-1012560 Edit

Molecule Structure InChIKey: GOSBTFMDBPGRGV-OVCLIPMQSA-N

Molecule Structure SMILES String: O=C(/C=C/c1ccc(O)cc1)Nc3ccc(NS(=O)(=O)c2ccccc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012560
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
   18.1866    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   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
    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 N   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
    4.3373    4.0124    0.0000 O   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
    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
    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
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.9000    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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 14  1  0  0  0  0
 26 25  2  0  0  0  0
 26 11  1  0  0  0  0
 27  5  1  0  0  0  0
 28 27  2  0  0  0  0
 28  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012560-3D
FYIcenter.com

 46 48  0  0  0  0  0  0  0  0999 V2000
    2.3891   -1.3304   -0.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1180   -0.1454   -0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050    0.2950   -0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2975   -0.5924   -0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6868   -0.1777   -0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540    0.2804   -1.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7576    0.7430   -1.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2876    0.7417    0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5441    1.2062    0.4151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5449    0.2694    1.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430   -0.1920    1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0021    0.9159   -0.5634 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059    0.8618   -0.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1235   -0.3153   -0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5214   -0.2930   -1.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2099    0.9113   -1.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6282    0.9680   -1.1003 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3390    1.1145   -2.6298 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7711    1.0907   -2.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7205    0.1649   -3.5275 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9015    2.7554   -3.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7340    3.8407   -2.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3967    5.1113   -3.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2415    5.2918   -4.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4175    4.2051   -4.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508    2.9342   -3.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5040    2.0949   -0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1108    2.0710   -0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5083    1.3400   -0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253   -1.6481   -0.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0404    0.2846   -2.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3349    1.1011   -1.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9339    1.5225   -0.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9744    0.2670    2.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6666   -0.5553    1.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6206    1.8383   -0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6253   -1.2767   -1.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0486   -1.2257   -1.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1496    0.2911   -0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6460    3.7058   -2.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0412    5.9604   -3.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9865    6.2815   -4.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5226    4.3463   -4.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1119    2.0858   -4.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0331    3.0418   -0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5944    3.0137   -0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  2  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  2  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-10-14, 1167👍, 0💬