Molecule FYI-1004278

A

Molecule Summary:

ID: FYI-1004278
Names:
InChIKey: VARPJFIDKZRYGM-UHFFFAOYSA-N
SMILES: NCc3nc2ccc(C(=O)NCc1ccccc1S(N)(=O)=O)cc2[nH]3

Received at FYIcenter.com on: 2023-08-25

Molecule ID: FYI-1004278 Edit

Molecule Structure InChIKey: VARPJFIDKZRYGM-UHFFFAOYSA-N

Molecule Structure SMILES String: NCc3nc2ccc(C(=O)NCc1ccccc1S(N)(=O)=O)cc2[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004278
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0621    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    7.2368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    8.3694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5957    9.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9957    9.7283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  1  0  0  0  0
  7  6  1  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
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  2  0  0  0  0
 15  4  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  3  1  0  0  0  0
 19  2  2  0  0  0  0
 20  2  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 11 23  1  0  0  0  0
 10 21  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004278-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    4.8046   -0.5747    1.1640 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317   -0.2540    0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7337   -0.8717   -1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7005   -0.2603   -2.1695 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526   -1.2607   -3.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7128   -1.1832   -4.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7394   -2.3720   -5.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8188   -3.6213   -4.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7853   -4.9031   -5.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3494   -5.9191   -4.8583 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2775   -4.8714   -6.6717 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3450   -6.0446   -7.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5598   -5.8470   -8.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   -6.6567   -9.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6346   -6.4981  -10.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9287   -5.5025  -11.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0527   -4.7011  -10.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8860   -4.8973   -9.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4203   -4.0043   -9.7539 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5283   -5.2567   -9.9106 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5570   -3.2294  -10.9650 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6177   -3.4201   -8.4465 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8764   -3.7079   -3.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8385   -2.5081   -2.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8569   -2.2309   -1.1635 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7149   -0.0924    2.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6161   -0.1499    0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326    0.8330    0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334   -0.6287    0.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6382   -0.2156   -4.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6631   -2.2975   -6.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -4.0531   -6.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9692   -6.9195   -6.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3947   -6.2567   -7.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1626   -7.4317   -8.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -7.1507  -10.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -5.3651  -11.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2865   -3.9448  -11.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0061   -5.1933  -10.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504   -5.3101   -9.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288   -4.6694   -2.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9364   -2.8966   -0.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  2  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  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 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2438👍, 0💬