Molecule FYI-1003243

Home > Molecule

A

Molecule Summary:

ID: FYI-1003243
Names:
InChIKey: MUDBXLRIOAWFNX-UHFFFAOYSA-N
SMILES: Cc2cccc(S(=O)(=O)c1ccc(N)cc1)c2

Received at FYIcenter.com on: 2023-05-27

Molecule ID: FYI-1003243 Edit

Molecule Structure InChIKey: MUDBXLRIOAWFNX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cccc(S(=O)(=O)c1ccc(N)cc1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003243
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    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
    1.2124    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 13 16  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003243-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
    0.1287   -1.3879    0.7467 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2136   -1.2904    2.1982 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0707   -2.6974    0.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8340    1.5491   -0.7041 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4911   -0.5577    0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -0.5122    0.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420    0.4490    0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2297    1.1134    0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9281   -0.8999   -1.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0181   -0.8551   -0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8027    0.4936    1.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    0.7710   -1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159   -0.2356   -1.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1820   -0.1660   -1.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9667    1.1827    0.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6563    0.8528   -0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240    2.1907    0.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8063    0.7264    1.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4324   -1.6745   -1.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6600   -1.6402   -1.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    0.7723    2.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5137    1.2800   -1.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552   -0.5009   -2.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7097   -0.4312   -2.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252    1.9761    1.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2109    2.7713    1.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6709    1.7545    1.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4278    2.8939    0.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1773    2.2889   -0.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3335    1.3116   -1.5507 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  5  1  0  0  0  0
  1  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1774👍, 0💬