Molecule FYI-1002838

A

Molecule Summary:

ID: FYI-1002838
Names:
InChIKey: IGLDOHLJJIKASI-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c3cc(C(=O)NC1CCCCC1)c(Sc2ccccc2)cc3Cl

Received at FYIcenter.com on: 2023-04-24

Molecule ID: FYI-1002838 Edit

Molecule Structure InChIKey: IGLDOHLJJIKASI-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3cc(C(=O)NC1CCCCC1)c(Sc2ccccc2)cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002838
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8501    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4501    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2501    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  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  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 20  5  2  0  0  0  0
 21 20  1  0  0  0  0
 10 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002838-3D
FYIcenter.com

 48 50  0     0  0  0  0  0  0999 V2000
    4.6705   -1.3401   -0.3161 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8240    1.7562   -0.7071 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1291   -2.4381    1.9122 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0476    0.5463    2.6178 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343    3.0743   -0.2322 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1921    1.2947   -0.5324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5122    1.1570    0.4297 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3978    1.6107   -2.3540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8196    1.7190    0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172    3.1996    1.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7515    1.5178   -0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3455    4.0857   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3780    2.4066   -1.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2934    3.8759   -1.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7287    0.6114    1.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6002    0.0993    1.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9720   -1.2351    1.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4892    1.0046    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498    0.5754    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2327   -1.6641    0.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1216   -0.7590    0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9887   -3.0437    0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4841   -4.1362   -0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1647   -2.4236    0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1558   -4.6089   -1.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8364   -2.8963   -1.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3319   -3.9891   -1.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448    1.1765    1.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9820    3.3414    1.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6851    3.5320    1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7798    1.7508   -0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7446    0.4683   -0.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3679    5.1378    0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3173    3.8695   -0.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4191    2.0860   -2.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1254    2.2878   -2.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2935    4.2376   -1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9581    4.4735   -2.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1419    1.2011   -0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1883    2.0418    0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281   -2.7040    0.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8753    2.3847   -2.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0767    1.1683   -2.9855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308   -4.6327    0.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838   -1.5816    0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7631   -5.4596   -1.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7537   -2.4154   -1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552   -4.3576   -2.6631 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 19  1  0  0  0  0
  3 17  1  0  0  0  0
  3 22  1  0  0  0  0
  4 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 39  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  2  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 27  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 1565👍, 0💬