54677714
  -OEChem-05102418352D

 49 51  0     0  0  0  0  0  0999 V2000
    8.9962    0.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4962    1.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4962   -0.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1923   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603   -1.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.7496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.9279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.7379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3252   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1312    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3683   -1.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5953   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7483   -0.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 11  1  0  0  0  0
  1 22  1  0  0  0  0
  2 16  1  0  0  0  0
  2 45  1  0  0  0  0
  3 17  2  0  0  0  0
  4 21  2  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 30  2  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 27  1  0  0  0  0
 12 30  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 16  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 18 23  1  0  0  0  0
 18 32  1  0  0  0  0
 19 24  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 28  1  0  0  0  0
 25 41  1  0  0  0  0
 26 29  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
 31 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54677714

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
859

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uABAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgQYSAAADAyB2AYyyYPiBgKIAiVSWHDCABAhIgIaqBkIbMkIJirI0ZGEcAhm1gHI2QeQwCAOAAQAAAACAAAACAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl N-[4-[[(4-hydroxy-1-methyl-2-oxo-quinoline-3-carbonyl)amino]sulfamoyl]phenyl]carbamate

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[[[(4-hydroxy-1-methyl-2-oxo-3-quinolinyl)-oxomethyl]amino]sulfamoyl]phenyl]carbamic acid methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl <I>N</I>-[4-[[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]sulfamoyl]phenyl]carbamate

> <PUBCHEM_IUPAC_NAME>
methyl N-[4-[[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]sulfamoyl]phenyl]carbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl N-[4-[[(1-methyl-4-oxidanyl-2-oxidanylidene-quinolin-3-yl)carbonylamino]sulfamoyl]phenyl]carbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[[(4-hydroxy-2-keto-1-methyl-quinoline-3-carbonyl)amino]sulfamoyl]phenyl]carbamic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18N4O7S/c1-23-14-6-4-3-5-13(14)16(24)15(18(23)26)17(25)21-22-31(28,29)12-9-7-11(8-10-12)20-19(27)30-2/h3-10,22,24H,1-2H3,(H,20,27)(H,21,25)

> <PUBCHEM_IUPAC_INCHIKEY>
HWIWBBBQTXZASV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
446.08962010

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18N4O7S

> <PUBCHEM_MOLECULAR_WEIGHT>
446.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)NC(=O)OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)NC(=O)OC)O

> <PUBCHEM_CACTVS_TPSA>
163

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
446.08962010

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  8
13  18  8
14  16  8
14  19  8
15  16  8
15  17  8
18  23  8
19  24  8
22  25  8
22  26  8
23  24  8
25  28  8
26  29  8
27  28  8
27  29  8
9  13  8
9  17  8

$$$$