Molecule FYI-1016706

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Molecule Summary:

ID: FYI-1016706
Names:
InChIKey: VNPVCIUVKZEYCJ-UHFFFAOYSA-N
SMILES: COc1cc(C)c(C)cc1S(=O)(=O)N(C)C

Received at FYIcenter.com on: 2026-02-25

Molecule ID: FYI-1016706 Edit

Molecule Structure InChIKey: VNPVCIUVKZEYCJ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cc(C)c(C)cc1S(=O)(=O)N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016706
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   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
    0.0000    2.1000    0.0000 C   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  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016706-3D
FYIcenter.com

 33 33  0     0  0  0  0  0  0999 V2000
    1.8649    0.4550   -0.7741 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4872   -2.1596   -0.1912 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3677   -0.7849   -1.3362 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9646    1.6804   -1.5454 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5573    0.7003    0.7861 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513    0.2067   -0.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.1379   -0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3278   -1.0682   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6804    1.3129   -0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.1400    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6807   -1.2430    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9273    2.3336   -0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9782   -0.3518    0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0610    1.8438    1.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8199   -0.4979    1.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1130   -3.4251    0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2955    2.3108   -0.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1242   -2.2118    0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3730    2.4500    0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3803    3.2575   -0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7219    2.2452   -0.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6056   -0.0162   -0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2100   -1.4087    0.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2587    0.1905    1.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9047    2.7233    0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8122    2.1141    2.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1296    1.5872    2.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3071   -1.2808    1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8908   -0.8827    2.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018   -0.2353    2.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627   -3.6862   -0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5074   -3.4775    1.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6801   -4.1770    0.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

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2026-03-22, 319👍, 0💬