8293
  -OEChem-04242422152D

 29 29  0     0  0  0  0  0  0999 V2000
    3.7320    2.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.2890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1550    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3450    0.0000 N   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
    3.7320   -0.6550    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
    4.5981    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
    4.5981   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -3.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -3.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860   -3.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -2.4010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4 11  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8293

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
377

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOAJgAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgQQQCAACASA0AIyB4AAARKAACBCAHBCABAgIAAIiBgGCIgIJiKAERKAMAAkwBEIiAeAQAAAAIAAAAAAAAABAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-dimethoxyphosphinothioyloxybenzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-dimethoxyphosphinothioyloxybenzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-dimethoxyphosphinothioyloxybenzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-dimethoxyphosphinothioyloxybenzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-dimethoxyphosphinothioyloxybenzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-dimethoxythiophosphoryloxybenzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)

> <PUBCHEM_IUPAC_INCHIKEY>
BSBSDQUZDZXGFN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.6

> <PUBCHEM_EXACT_MASS>
296.98945183

> <PUBCHEM_MOLECULAR_FORMULA>
C8H12NO5PS2

> <PUBCHEM_MOLECULAR_WEIGHT>
297.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
128

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.98945183

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  13  8
11  14  8
11  15  8
12  14  8
13  15  8

$$$$