3688
  -OEChem-05092409412D

 23 24  0     1  0  0  0  0  0999 V2000
    2.0000   -0.9011    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.8770    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0301   -1.7430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0301   -1.7430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.3770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.1230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.6230    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6641   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    0.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -0.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5722    0.5861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9522    1.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.5316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.7776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.9559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3688

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
314

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHAYQQAAACArBUCQzwYLAAAKAACRCQHDCABAhBwAIiJwIZoiIICLBk5GEIAhgkALIyCcQAAAAAABAABAAAQAAAIAAIAACAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-chloro-3-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

> <PUBCHEM_IUPAC_CAS_NAME>
7-chloro-3-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-chloro-3-methyl-3,4-dihydro-2<I>H</I>-1&lambda;<SUP>6</SUP>,2,4-benzothiadiazine 1,1-dioxide

> <PUBCHEM_IUPAC_NAME>
7-chloro-3-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-chloranyl-3-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-chloro-3-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
VZRNTCHTJRLTMU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.5

> <PUBCHEM_EXACT_MASS>
232.0073264

> <PUBCHEM_MOLECULAR_FORMULA>
C8H9ClN2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
232.69

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1

> <PUBCHEM_CACTVS_TPSA>
66.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
232.0073264

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  13  8
12  14  8
13  14  8
7  10  3
8  11  8
8  9  8
9  12  8

$$$$