Molecule FYI-1007710

A

Molecule Summary:

ID: FYI-1007710
Names:
InChIKey: PGYFUNHIFMBZCB-UHFFFAOYSA-M
SMILES: Cc1c(Br)cc(NC(=O)CS(=O)(=O)[O-])cc1Br

Received at FYIcenter.com on: 2024-03-13

Molecule ID: FYI-1007710 Edit

Molecule Structure InChIKey: PGYFUNHIFMBZCB-UHFFFAOYSA-M

Molecule Structure SMILES String: Cc1c(Br)cc(NC(=O)CS(=O)(=O)[O-])cc1Br

Download SDF Download SVG Structure in 2D SDF:

FYI-1007710
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 Br  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
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  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  8  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  6  1  0  0  0  0
 16 15  2  0  0  0  0
 16  2  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007710-3D
FYIcenter.com

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.9965    0.1497    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4968    0.0243    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1503   -1.2192    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2193   -2.8817    0.0657 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5508   -1.3038    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3406   -0.1575    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7509   -0.1742    0.0435 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5919   -1.2705    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2056   -2.4448    0.0905 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0727   -1.0030    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5450    0.4642    0.9522 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7862    1.5040    0.2495 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1203    0.2343    2.3286 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9900    0.5172    0.7483 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7086    1.0870    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3083    1.1765    0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5614    2.9309    0.0684 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4722   -0.8076    0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6572    0.6854   -0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657    0.6832    0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0065   -2.2877    0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    0.7414    0.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4061   -0.9315   -0.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5893   -1.8357    0.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3097    1.9950    0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 182👍, 0💬