58988104
  -OEChem-05122402112D

 45 47  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
    5.4641   -1.6550    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
    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
    2.8660    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
    3.7320    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8450    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
    4.9272   -0.3450    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
    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
    1.4631    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6550    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
    2.8660    3.4650    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 14  1  0  0  0  0
  3 13  2  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 29  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8 12  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  2  0  0  0  0
 10 12  1  0  0  0  0
 10 16  2  0  0  0  0
 11 20  2  0  0  0  0
 12 28  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 19  2  0  0  0  0
 15 32  1  0  0  0  0
 16 19  1  0  0  0  0
 16 33  1  0  0  0  0
 17 23  2  0  0  0  0
 17 24  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  1  0  0  0  0
 23 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 27  2  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58988104

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
583

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgQQQAAADAyh2AIwx4LABAKIAiVSUHDCCBAlIgAIiBkGbMgMJjbEtZuGOWzm9BHI6YeYyCCOAAAAACAIAAAAAAAAQBAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H18N2O4S/c21-27(24,25)17-10-6-9-16(13-17)22-20(23)18-11-4-5-12-19(18)26-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,22,23)(H2,21,24,25)

> <PUBCHEM_IUPAC_INCHIKEY>
ALBOEZVZJCXXNB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
382.09872823

> <PUBCHEM_MOLECULAR_FORMULA>
C20H18N2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
382.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
107

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
382.09872823

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  16  8
11  20  8
15  19  8
16  19  8
17  23  8
17  24  8
18  21  8
20  22  8
21  22  8
23  25  8
24  26  8
25  27  8
26  27  8
8  12  8
8  15  8
9  11  8
9  18  8

$$$$