1317857
  -OEChem-04262401462D

 52 53  0     0  0  0  0  0  0999 V2000
    6.3301    3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  4 16  1  0  0  0  0
  4 19  1  0  0  0  0
  5 21  1  0  0  0  0
  5 27  1  0  0  0  0
  6 24  1  0  0  0  0
  6 28  1  0  0  0  0
  7 22  2  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  9 20  1  0  0  0  0
  9 22  1  0  0  0  0
  9 43  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 15 18  2  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 25  1  0  0  0  0
 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1317857

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
584

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgQQQAAACCzh0AYyx4LABAKIACVSUHLCCBAhIgAIiJhHbIgOJiLEsZ+HOCjm1BnY6AfQUAMAAYAAAgAAEAADAAAEAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,5-dimethoxyphenyl)-2-[4-(isopropylsulfamoyl)phenoxy]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

> <PUBCHEM_IUPAC_NAME>
N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,5-dimethoxyphenyl)-2-[4-(isopropylsulfamoyl)phenoxy]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H24N2O6S/c1-13(2)21-28(23,24)16-8-5-14(6-9-16)27-12-19(22)20-17-11-15(25-3)7-10-18(17)26-4/h5-11,13,21H,12H2,1-4H3,(H,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
MROSXKHQWNCKOZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
408.13550766

> <PUBCHEM_MOLECULAR_FORMULA>
C19H24N2O6S

> <PUBCHEM_MOLECULAR_WEIGHT>
408.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)OC)OC

> <PUBCHEM_CACTVS_TPSA>
111

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
408.13550766

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
11  14  8
11  15  8
14  17  8
15  18  8
16  17  8
16  18  8
20  21  8
20  23  8
21  25  8
23  24  8
24  26  8
25  26  8

$$$$