Molecule FYI-1009314

A

Molecule Summary:

ID: FYI-1009314
Names:
InChIKey: BPJTUAGUVDDBHV-UHFFFAOYSA-N
SMILES: Nc2cc(c1ccc(C(F)(F)F)cc1)ccc2NS(N)(=O)=O

Received at FYIcenter.com on: 2024-05-08

Molecule ID: FYI-1009314 Edit

Molecule Structure InChIKey: BPJTUAGUVDDBHV-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cc(c1ccc(C(F)(F)F)cc1)ccc2NS(N)(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009314
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.4000    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    2.4248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.5124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.5124    0.0000 O   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009314-3D
FYIcenter.com

 34 35  0     0  0  0  0  0  0999 V2000
   -5.3593   -0.6478   -0.3611 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405   -1.4170   -0.4786 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9531    0.6105   -1.2488 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1294    0.2619    0.8904 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7354   -0.6504    0.1001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6916   -1.8970   -0.6732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4183    0.2593    0.7711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9726    2.5011   -0.2520 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2651    0.3760   -1.7375 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2235    0.0961    0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    0.0313    0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9964    0.2195    0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2961    1.3177    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9095    1.2559   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9239   -1.0019    0.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103   -0.9401    0.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8359   -1.1906   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9804    1.1913    0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9882   -0.0930   -0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2225   -1.2528   -0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    1.1291    0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4706   -0.1589   -0.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3971    2.1173   -0.4426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4294   -1.9132    1.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8394   -1.7970    1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2787   -2.1141   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5450    2.1593    0.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8025    1.1733    1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879   -2.2125   -0.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562    2.0367    0.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4515    3.2851   -0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9811    2.5475   -0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5242   -0.0599   -2.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7190    1.2941   -1.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  7 12  1  0  0  0  0
  7 28  1  0  0  0  0
  8 13  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 20  1  0  0  0  0
 17 26  1  0  0  0  0
 18 21  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  END
$$$$

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2024-05-15, 194👍, 0💬