Molecule FYI-1009561

A

Molecule Summary:

ID: FYI-1009561
Names:
InChIKey: JIVPVXMEBJLZRO-CQSZACIVSA-N
SMILES: NS(=O)(=O)c3cc([C@]2(O)NC(=O)c1ccccc12)ccc3Cl

Received at FYIcenter.com on: 2024-05-15

Molecule ID: FYI-1009561 Edit

Molecule Structure InChIKey: JIVPVXMEBJLZRO-CQSZACIVSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3cc([C@]2(O)NC(=O)c1ccccc12)ccc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1009561
FYIcenter.com

 22 24  0  0  1  0  0  0  0  0999 V2000
    0.8546    7.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240    7.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608    6.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    5.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    5.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220    6.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    3.0892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7823    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6052    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0357    4.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6434    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    3.5442    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3517    1.2790    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0728    0.7095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6307    1.8484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9212    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9299    2.8225    0.0000 O   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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10  4  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  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 10 22  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009561-3D
FYIcenter.com

 33 35  0     1  0  0  0  0  0999 V2000
   -4.1913    1.5031   -1.6583 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8968   -0.9290    0.4530 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9854   -0.0584    2.3055 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    2.1823    0.2344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303   -1.4956    1.7655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1301   -0.1970    0.2125 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9901    1.5688    0.9962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7446   -2.1569   -0.7235 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1350    0.3838    0.9590 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9986   -0.5800    0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2110    0.6539    0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2116    0.0221   -0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2126    1.3922    0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3147   -0.1432    0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7490   -1.8924   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492    1.7018   -0.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5501    0.1064    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1987   -0.6338   -0.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7323   -2.5788   -0.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5846    1.9514   -1.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6851    1.1537   -0.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9454   -1.9543   -1.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7267    2.4331    1.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985   -0.9672    1.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8200   -2.3860    0.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4885    2.3348   -0.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1341   -0.1520   -1.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2886    0.6685    2.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6719    2.7696   -1.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589   -3.6095   -1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6936   -2.5096   -1.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4245   -3.0814   -0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4490   -2.1923   -1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 28  1  0  0  0  0
  4 13  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 19  1  0  0  0  0
 15 25  1  0  0  0  0
 16 20  2  0  0  0  0
 16 26  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 27  1  0  0  0  0
 19 22  2  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 22 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-16, 172👍, 0💬