Molecule FYI-1002807

A

Molecule Summary:

ID: FYI-1002807
Names:
InChIKey: JHJVKSXZTYMHHX-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2cc(C(=O)NCCO)c(NCc1ccccc1)cc2Cl

Received at FYIcenter.com on: 2023-04-23

Molecule ID: FYI-1002807 Edit

Molecule Structure InChIKey: JHJVKSXZTYMHHX-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2cc(C(=O)NCCO)c(NCc1ccccc1)cc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002807
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.4250   11.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   10.5001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   10.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   10.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2001    0.0000 O   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  9  1  0  0  0  0
 10  5  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 14 15  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002807-3D
FYIcenter.com

 43 44  0     0  0  0  0  0  0999 V2000
    3.5278    3.0255    0.2887 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0332    0.1795   -0.0180 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5576   -2.7182   -1.4062 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985   -1.0355   -0.7286 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6021    1.4563   -0.4188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708   -2.3389    0.6727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090    0.5451   -0.1244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5005   -2.3513    0.6242 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3095   -0.0489    1.6514 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008    0.4566   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1432   -0.7746   -0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    0.3239   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362   -0.8408   -0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6096    1.7834    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2515    1.6213    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6446    1.5551    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3874   -2.0094   -0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0953    1.5540   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3023   -3.5538    0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7817    1.5780   -1.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7872    1.3176    1.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6455   -3.3234   -0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1601    1.3652   -1.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1656    1.1049    1.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8519    1.1285   -0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0234   -1.8083   -0.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4325   -0.3117   -0.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3438    2.4744   -0.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3537    2.2830    0.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7807    2.5948    0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5900   -1.7315    1.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4422   -3.8405    1.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546   -4.3504    0.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2537    1.7590   -2.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2636    1.2936    2.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2298   -4.2486   -0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5198   -2.9712   -1.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6069   -0.9816    1.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7448    0.7217    2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6945    1.3829   -2.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7043    0.9196    2.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9250    0.9621   -0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2161   -2.2081    0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 17  2  0  0  0  0
  6 22  1  0  0  0  0
  6 43  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 27  1  0  0  0  0
  8 17  1  0  0  0  0
  8 19  1  0  0  0  0
  8 31  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 23  1  0  0  0  0
 20 34  1  0  0  0  0
 21 24  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-26, 2223👍, 0💬