70579350
  -OEChem-05132407372D

 29 30  0     0  0  0  0  0  0999 V2000
    2.9999   -1.5142    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483    2.5204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9999   -1.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4804   -0.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3464    1.0204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483   -0.4796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0115   -2.5142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8823    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8823    1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884   -0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483    1.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6144    1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884    1.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0823   -0.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6144    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0823    1.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4804    1.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4804    2.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483   -1.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9955    2.1750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466   -0.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466    1.3532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782   -2.8304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5520   -2.8179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2114    2.8304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1004    2.5204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4804    3.1404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8604    2.5204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 26  1  0  0  0  0
  5 16  2  0  0  0  0
  6 18  2  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 20  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  2  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70579350

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
560

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgQQSAAADAyB2AAywYLAAgKIAqVSUHDCABAhIAAIiB0ATMgIJjrIkZGEcAhmxAHI2QeQwCAOAAAAgAACAQAAAAEAAAQCAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-acetyl-4-hydroxy-2-oxo-1H-quinoline-8-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-acetyl-4-hydroxy-2-oxo-1H-quinoline-8-sulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-acetyl-4-hydroxy-2-oxo-1<I>H</I>-quinoline-8-sulfonamide

> <PUBCHEM_IUPAC_NAME>
3-acetyl-4-hydroxy-2-oxo-1H-quinoline-8-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-ethanoyl-4-oxidanyl-2-oxidanylidene-1H-quinoline-8-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-acetyl-4-hydroxy-2-keto-1H-quinoline-8-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H10N2O5S/c1-5(14)8-10(15)6-3-2-4-7(19(12,17)18)9(6)13-11(8)16/h2-4H,1H3,(H2,12,17,18)(H2,13,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
QQSVIPMBQLJBDB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
282.03104260

> <PUBCHEM_MOLECULAR_FORMULA>
C11H10N2O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
282.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=C(C2=C(C(=CC=C2)S(=O)(=O)N)NC1=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=C(C2=C(C(=CC=C2)S(=O)(=O)N)NC1=O)O

> <PUBCHEM_CACTVS_TPSA>
135

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
282.03104260

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  14  8
11  15  8
12  13  8
13  16  8
14  17  8
15  17  8
7  16  8
7  9  8
9  10  8
9  11  8

$$$$