60159691
  -OEChem-05082415472D

 48 50  0     0  0  0  0  0  0999 V2000
    4.5981   -1.3080    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981   -1.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    3.5284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.1920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.6920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8418    2.7853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0327    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0109    4.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4176    5.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.4980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.5020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.1180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.1180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    3.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.3449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5720    4.6014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -5.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -5.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9840    5.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6698    5.8744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8512    5.5602    0.0000 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  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 25  1  0  0  0  0
  5 15  1  0  0  0  0
  5 28  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  0  0  0  0
  7 23  2  0  0  0  0
  8 12  1  0  0  0  0
  8 30  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 38  1  0  0  0  0
 10 24  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 32  1  0  0  0  0
 17 22  2  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 24 26  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  2  0  0  0  0
 26 42  1  0  0  0  0
 27 29  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60159691

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
647

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgQUQAAADAyB2gIz95LQBAKpAqdycnDCCBAlIgApmDs2bNqMJjrEvZuEMahm1RvI6cfYyQCeCQAABAAAIAASAAAIAABAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methylisoxazol-3-yl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-3-isoxazolyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[(2,5-dimethoxyphenyl)sulfonylamino]-<I>N</I>-(5-methyl-1,2-oxazol-3-yl)benzamide

> <PUBCHEM_IUPAC_NAME>
4-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methylisoxazol-3-yl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19N3O6S/c1-12-10-18(21-28-12)20-19(23)13-4-6-14(7-5-13)22-29(24,25)17-11-15(26-2)8-9-16(17)27-3/h4-11,22H,1-3H3,(H,20,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
QIOOMHVSVIEIKJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
417.09945651

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19N3O6S

> <PUBCHEM_MOLECULAR_WEIGHT>
417.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC

> <PUBCHEM_CACTVS_TPSA>
128

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
417.09945651

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
10  24  8
11  13  8
11  14  8
12  16  8
12  17  8
13  18  8
14  15  8
15  20  8
16  21  8
17  22  8
18  20  8
19  21  8
19  22  8
24  26  8
26  27  8
6  10  8
6  27  8

$$$$