58988092
  -OEChem-05142407482D

 41 42  0     0  0  0  0  0  0999 V2000
    7.1962    2.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    0.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    1.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  2  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 27  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8 12  2  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  2  0  0  0  0
 10 12  1  0  0  0  0
 10 17  2  0  0  0  0
 11 20  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 23  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58988092

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
489

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgQQQAAADAyh2AIyx4LABAKIAiVSUHDCCBAlIgAIiBkGbMgMJjbEtZuGOWzm9BHI6YeYyCCOAAAAACAIAAAAAAAAQBAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-propoxy-N-(3-sulfamoylphenyl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-propoxy-N-(3-sulfamoylphenyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-propoxy-<I>N</I>-(3-sulfamoylphenyl)benzamide

> <PUBCHEM_IUPAC_NAME>
2-propoxy-N-(3-sulfamoylphenyl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-propoxy-N-(3-sulfamoylphenyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-propoxy-N-(3-sulfamoylphenyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H18N2O4S/c1-2-10-22-15-9-4-3-8-14(15)16(19)18-12-6-5-7-13(11-12)23(17,20)21/h3-9,11H,2,10H2,1H3,(H,18,19)(H2,17,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
FGKJDZYGYVXQOQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
334.09872823

> <PUBCHEM_MOLECULAR_FORMULA>
C16H18N2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
334.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCOC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCOC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
107

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.09872823

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  12  8
10  17  8
11  20  8
16  19  8
17  19  8
18  21  8
20  22  8
21  22  8
8  12  8
8  16  8
9  11  8
9  18  8

$$$$