Molecule FYI-1006325

A

Molecule Summary:

ID: FYI-1006325
Names:
InChIKey: SEYPHQTWTBXMQU-UHFFFAOYSA-N
SMILES: Cc4ccc(CN(Cc2ccc(c1ccccc1S(=O)(=O)NC=N)cc2)C(=O)c3ccccc3Cl)cc4

Received at FYIcenter.com on: 2023-12-09

Molecule ID: FYI-1006325 Edit

Molecule Structure InChIKey: SEYPHQTWTBXMQU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(CN(Cc2ccc(c1ccccc1S(=O)(=O)NC=N)cc2)C(=O)c3ccccc3Cl)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006325
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995   12.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995   12.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 N   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  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 14  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
 32  4  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  2  0  0  0  0
 35 32  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006325-3D
FYIcenter.com

 63 66  0  0  0  0  0  0  0  0999 V2000
   -6.5151    1.3748   -6.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8794    1.4497   -4.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5026    1.6415   -4.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8890    1.4984   -3.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6357    1.1567   -2.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9364    0.6710   -0.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8196    1.6148    0.2331 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7985    2.6844    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241    2.3847    0.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4009    2.2763   -0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9876    2.3407   -0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5274    2.3537    0.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9902    2.4454    1.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4302    3.3924    2.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7785    3.7248    2.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7391    3.1260    1.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3609    2.1414    0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0028    1.7699    0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6692    0.4463   -0.6584 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3374   -0.0867   -0.4927 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1558    0.8873   -1.9483 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7019   -0.7775   -0.1605 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2713   -1.7944    0.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009   -2.8285    0.8765 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6061    2.3756    1.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717    2.4513    1.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8799    1.5963    1.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8482    0.8482    1.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7900    2.4647    2.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500    2.3250    3.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3357    3.2684    4.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    4.2697    4.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4858    4.2829    3.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7634    3.3852    2.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3165    3.4831    2.0255 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.0345    1.0997   -2.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6497    1.2417   -3.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7679    1.4486   -6.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2511    2.1713   -6.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0118    0.4046   -6.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8853    1.8454   -5.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8072    1.5803   -3.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9304    0.3160   -1.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4746   -0.2257   -0.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0944    3.5364    0.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8485    3.0612   -0.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345    2.2121   -1.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6392    2.3652   -1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    3.9278    2.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0617    4.4821    3.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7815    3.4254    1.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1221    1.6736    0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4463   -0.9495   -0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2928   -1.6561    1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8635   -2.7547    0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9312    2.4036    3.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709    2.6509    2.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9782    1.4949    2.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3723    3.2329    4.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0010    5.0157    5.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2302    5.0120    4.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6570    0.8620   -1.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7283    1.1263   -3.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  2  0  0  0  0
  3  4  2  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  2  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  2  0  0  0  0
 10 11  2  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  2  0  0  0  0
 16 51  1  0  0  0  0
 17 18  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  2  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 26  1  0  0  0  0
 25 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 34  2  0  0  0  0
 30 31  2  0  0  0  0
 30 58  1  0  0  0  0
 31 32  1  0  0  0  0
 31 59  1  0  0  0  0
 32 33  2  0  0  0  0
 32 60  1  0  0  0  0
 33 34  1  0  0  0  0
 33 61  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 36 62  1  0  0  0  0
 37 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-17, 282👍, 0💬