3019
  -OEChem-05072420512D

 21 22  0     0  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
    5.5301    1.1230    0.0000 N   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
    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
    6.3961    0.6230    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
    7.2622    1.1230    0.0000 C   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
    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
    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
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3019

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
360

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzMABEAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHAYQQAAACAqBUCAzwYLAAAKgACZiYHDCABAhBwAJiBwQZogIICLBm5GEIAhgkADIyAcQAAAAAABAABAAAQAAAIAAIAACAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)

> <PUBCHEM_IUPAC_INCHIKEY>
GDLBFKVLRPITMI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.2

> <PUBCHEM_EXACT_MASS>
229.9916763

> <PUBCHEM_MOLECULAR_FORMULA>
C8H7ClN2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
230.67

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
66.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
229.9916763

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  13  8
12  13  8
7  10  8
7  8  8
8  11  8

$$$$