Molecule FYI-1002334

A

Molecule Summary:

ID: FYI-1002334
Names:
InChIKey: HXDDLJJOOJOIRI-UHFFFAOYSA-N
SMILES: N#Cc2ccc(N(O)C(=O)C(O)(O)CS(=O)(=O)c1ccc(F)cc1)cc2C(F)(F)F

Received at FYIcenter.com on: 2023-02-28

Molecule ID: FYI-1002334 Edit

Molecule Structure InChIKey: HXDDLJJOOJOIRI-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc2ccc(N(O)C(=O)C(O)(O)CS(=O)(=O)c1ccc(F)cc1)cc2C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002334
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    9.1871    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    4.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    7.7000    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
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 N   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
    3.6374    5.6000    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
    2.4249    3.5000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  3  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 29 18  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002334-3D
FYIcenter.com

 42 43  0  0  0  0  0  0  0  0999 V2000
   -3.0412   -0.1097   -0.9845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8785   -0.1138   -0.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4501   -0.1505   -0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1342   -0.9515    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208   -1.0295    0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738   -0.3135   -0.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.3613   -0.4784 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4876    0.5863   -1.2553 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5226   -1.3435    0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9940   -2.3124    0.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0964   -1.2086    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7288   -0.5260   -0.7515 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3093   -0.4673    1.5024 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6637   -2.6401    0.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4347   -2.6856    0.5502 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0467   -2.0154   -0.5801 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7825   -2.3486    1.9177 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8504   -4.4192    0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1477   -4.8689   -0.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5420   -6.1912   -1.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6493   -7.0491   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0242   -8.3194   -0.2818 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3797   -6.6051    1.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9859   -5.2782    1.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828    0.4937   -1.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714    0.5888   -1.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1742    1.4841   -2.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5300    1.5125   -2.9788 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063    2.7789   -2.7067 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2740    1.1252   -4.1151 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4930   -1.5241    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8957   -1.6449    1.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646    1.4237   -0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5035   -0.9620   -1.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3547   -1.0781    2.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4160   -3.1956   -0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2722   -3.1804    1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1009   -4.1925   -1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7779   -6.5516   -2.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4924   -7.2982    2.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8118   -4.9319    2.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    1.0593   -2.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  2  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-04, 1058👍, 0💬