null
  CDK     0224162331
null
 30 33  0  0  0  0  0  0  0  0999 V2000
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768    3.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781    3.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3739    4.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851    4.1027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400    4.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0470    5.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3020    5.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7499    6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429    6.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880    5.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0049    7.2412    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202    7.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7895    6.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2598    8.0258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0668    8.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6188    7.5842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4258    7.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6807    8.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1287    9.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3217    8.9819    0.0000 N   0  0  0  0  0  0  0  0  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 
  6  1  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  7 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 12 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 15  1  0  0  0  0 
 18 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 21 23  2  0  0  0  0 
 21 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  2  0  0  0  0 
 30 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:107854

> <NAME>
3-(1H-indol-3-yl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide

> <STAR>
2

> <FORMULA>
C21H19N5O3S

> <MASS>
421.474

> <MONOISOTOPIC_MASS>
421.12086

> <CHARGE>
0

> <SMILES>
C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

> <INCHI>
InChI=1S/C21H19N5O3S/c27-20(11-6-15-14-24-19-5-2-1-4-18(15)19)25-16-7-9-17(10-8-16)30(28,29)26-21-22-12-3-13-23-21/h1-5,7-10,12-14,24H,6,11H2,(H,25,27)(H,22,23,26)

> <INCHIKEY>
YYKGAEDBHFUANW-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-19231

$$$$