Molecule FYI-1006039

A

Molecule Summary:

ID: FYI-1006039
Names:
InChIKey: MXYWYUIGPWWUNX-UHFFFAOYSA-N
SMILES: O=C(O)c3ccc(NS(=O)(=O)c2ccc1[nH]c(=O)[nH]c1c2)cc3

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006039 Edit

Molecule Structure InChIKey: MXYWYUIGPWWUNX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c3ccc(NS(=O)(=O)c2ccc1[nH]c(=O)[nH]c1c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006039
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   14.4664    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0415    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8291    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7669    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    0.2674    0.0000 N   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
    3.5544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7669    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8291    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0415    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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  1  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 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 12  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
 19 10  1  0  0  0  0
 20  9  2  0  0  0  0
 21  9  2  0  0  0  0
 22  7  1  0  0  0  0
 23 22  2  0  0  0  0
 23  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006039-3D
FYIcenter.com

 34 36  0     0  0  0  0  0  0999 V2000
    0.7207    2.9532    0.4671 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5373    4.0486   -0.0408 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3648    2.9370    1.8800 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0061   -4.1428    0.5646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3577   -2.0189    1.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1695   -2.5765   -1.0125 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097   -2.1018    1.0642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7084    2.8612   -0.4900 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3731   -2.1549   -0.6735 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5399    1.4580    0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611   -0.8303    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573   -0.8628   -0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2849    0.3153    0.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4494    1.4250   -0.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247    0.2485   -1.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5182    1.6773   -0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919   -2.9589    0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7445    0.8987   -1.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0648    1.3235    0.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0809   -0.6128   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5287   -0.2505   -1.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8489    0.1743    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8994   -1.8102   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5995    0.3158    1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361    2.3155   -1.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8210    0.2217   -2.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3351   -2.3587    1.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417    3.2558   -1.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0487   -2.4572   -1.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3166    1.1713   -2.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9247    1.9343    1.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6967   -0.8506   -2.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2647   -0.0673    1.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9079   -2.8289    1.2428 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  8  1  0  0  0  0
  1 10  1  0  0  0  0
  4 17  2  0  0  0  0
  5 23  1  0  0  0  0
  5 34  1  0  0  0  0
  6 23  2  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  7 27  1  0  0  0  0
  8 16  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 29  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 30  1  0  0  0  0
 19 22  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 342👍, 0💬