1489253
  -OEChem-04192419182D

 35 36  0     0  0  0  0  0  0999 V2000
    3.0000   -0.3603    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432    1.3716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    2.3422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7796    0.7330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9706    2.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4487    1.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3554    3.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500    3.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    1.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894    0.5321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9085    0.1266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3987    3.8742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7538    3.4057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    3.2642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    3.2183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8126    2.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4148    2.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9666    3.4251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2852    3.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.5502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.5502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -3.1702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -3.1702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.9802    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 12  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1489253

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
485

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMABAAAAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAAABAAAAHgQQAAAACAjFUASzAYPAAAqIACRCUHBCAAAgCBAIiBgIAIiIICKgERCAIAAolgKoiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1<I>H</I>-imidazol-2-one

> <PUBCHEM_IUPAC_NAME>
5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-ethyl-4-methyl-5-(phenylsulfonylmethyl)-1H-imidazol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(besylmethyl)-1-ethyl-5-methyl-4-imidazolin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H16N2O3S/c1-3-15-10(2)12(14-13(15)16)9-19(17,18)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
JNXYPFNPFQXNEZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.8

> <PUBCHEM_EXACT_MASS>
280.08816355

> <PUBCHEM_MOLECULAR_FORMULA>
C13H16N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
280.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C(=C(NC1=O)CS(=O)(=O)C2=CC=CC=C2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C(=C(NC1=O)CS(=O)(=O)C2=CC=CC=C2)C

> <PUBCHEM_CACTVS_TPSA>
74.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
280.08816355

> <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>
12  15  8
12  16  8
15  17  8
16  18  8
17  19  8
18  19  8
5  10  8
5  9  8
6  10  8
6  7  8
7  9  8

$$$$