6918638
  -OEChem-04192410562D

 36 37  0     0  0  0  0  0  0999 V2000
    5.4641    1.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.8100    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  6  1  0  0  0  0
  1  8  1  0  0  0  0
  4 22  2  0  0  0  0
  5  7  1  0  0  0  0
  5 36  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7 22  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 21  2  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6918638

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
492

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgQUSAAADAiB2AAwwYBQAAKIAiVSUHDCABAgAgAoiBgAZMgIICKAkZGAIABgkAAIyYcQgAAOAAAAgAAAAAAAAAEAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enehydroxamic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-<I>N</I>-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
(E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-N-oxidanyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enehydroxamic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+

> <PUBCHEM_IUPAC_INCHIKEY>
NCNRHFGMJRPRSK-MDZDMXLPSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
318.06742811

> <PUBCHEM_MOLECULAR_FORMULA>
C15H14N2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
318.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO

> <PUBCHEM_CACTVS_TPSA>
104

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
318.06742811

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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  13  8
11  14  8
12  15  8
12  16  8
13  14  8
15  18  8
16  19  8
18  20  8
19  20  8
8  11  8
8  9  8
9  10  8

$$$$