57617807
  -OEChem-04262423292D

 46 48  0     0  0  0  0  0  0999 V2000
    8.1301    2.0670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6301    2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6301    2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -0.9572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3701    0.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3701    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    0.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -0.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6067    1.4593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2082    2.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2082   -0.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6067    0.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3773   -0.5876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3773    2.7216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9283    1.8999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8656    0.6562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296    1.1595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592   -2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    1.0710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.8407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.0053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518   -0.9662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -1.5838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918   -0.9614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -3.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  4 15  2  0  0  0  0
  5 17  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 31  1  0  0  0  0
 13 16  2  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 34  1  0  0  0  0
 20 24  1  0  0  0  0
 20 36  1  0  0  0  0
 21 25  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 26  2  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57617807

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
634

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgQQAAAADCjF2ASywYPAAAqIAiVSUHDCAAAlChAIiJ0IZMgIIDLglZGEIQhglgDoyYcciACOEAAAQAAAAQAgAACAAAACAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-benzoyl-N-isopropyl-1,1-dioxo-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-benzoyl-1,1-dioxo-N-propan-2-yl-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-benzoyl-1,1-dioxo-<I>N</I>-propan-2-yl-2,3-dihydro-1&lambda;<SUP>6</SUP>,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-benzoyl-1,1-dioxo-N-propan-2-yl-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1-bis(oxidanylidene)-4-(phenylcarbonyl)-N-propan-2-yl-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-benzoyl-N-isopropyl-1,1-diketo-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H20N2O4S/c1-13(2)20-18(22)15-8-9-17-16(12-15)21(10-11-26(17,24)25)19(23)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
CIWDKYZMZQBKJA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
372.11437830

> <PUBCHEM_MOLECULAR_FORMULA>
C19H20N2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
372.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)NC(=O)C1=CC2=C(C=C1)S(=O)(=O)CCN2C(=O)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)NC(=O)C1=CC2=C(C=C1)S(=O)(=O)CCN2C(=O)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
91.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
372.11437830

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  11  8
10  13  8
11  12  8
12  14  8
13  16  8
14  16  8
18  20  8
18  21  8
20  24  8
21  25  8
24  26  8
25  26  8

$$$$