Molecule FYI-1003633

A

Molecule Summary:

ID: FYI-1003633
Names:
InChIKey: HWKVKIIDBAOWOH-UHFFFAOYSA-N
SMILES: Nc1n[nH]cc1c2cc(Cl)ccc2Oc4cc(F)c(S(=O)(=O)Nc3cncs3)cc4Cl

Received at FYIcenter.com on: 2023-07-14

Molecule ID: FYI-1003633 Edit

Molecule Structure InChIKey: HWKVKIIDBAOWOH-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1n[nH]cc1c2cc(Cl)ccc2Oc4cc(F)c(S(=O)(=O)Nc3cncs3)cc4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1003633
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.3139    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1014    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1014    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3139    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7387    6.3543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9512    5.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7387    7.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9512    7.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1636    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3100    4.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6794    4.6709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3794    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4426    6.9237    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8889    3.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6766    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3140    7.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3140    2.1543    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0393    6.3543    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  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
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
  4 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  2  0  0  0  0
 24 25  1  0  0  0  0
 25 29  1  0  0  0  0
  1 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003633-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.8879   -5.1085   -2.7557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1111   -5.9733   -2.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418   -7.0622   -3.6866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1190   -7.7107   -3.5621 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0234   -7.0570   -2.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4022   -5.9008   -2.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0022   -4.9985   -1.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8876   -5.5636   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4699   -4.7975    0.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6054   -5.5134    1.6851 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1251   -3.4657    0.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2244   -2.8932   -0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -3.6170   -1.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0131   -2.9673   -2.2458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3201   -1.6352   -2.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6485   -1.1947   -2.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9357    0.1683   -2.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2181    0.5444   -2.4328 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9085    1.0991   -2.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2782    2.7868   -2.1525 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4007    2.8314   -1.2424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0242    3.4183   -1.8073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8432    3.3829   -3.6508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2041    4.6126   -4.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386    4.7195   -4.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6084    6.0144   -4.9703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4529    6.8545   -4.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8257    6.1536   -3.6464 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757    0.6759   -2.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2847   -0.6960   -2.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721   -1.1783   -2.6804 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8027   -5.3362   -3.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435   -4.3318   -2.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2190   -8.6115   -4.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9951   -7.4896   -2.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1304   -6.6230   -0.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5581   -2.8632    1.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531   -1.8519    0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4701   -1.9010   -2.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8416    3.5485   -3.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619    3.8935   -5.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3044    7.9267   -4.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2320    1.4065   -2.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  2  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 29 30  1  0  0  0  0
 29 43  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 3429👍, 0💬