251746
  -OEChem-06181303192D

 31 32  0     0  0  0  0  0  0999 V2000
    3.8660    2.1488    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.6488    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4487    2.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7796    1.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9706    3.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8636    2.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9503    2.8496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5151    3.6034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7571    3.9409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4696    1.2051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2812    1.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9058    3.7599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3506    3.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -3.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -3.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  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 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
251746

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
354

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMABgAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABAAAAGAQAQAAADACEWACyAYAAAAqAAiBCAHBCABAgABAIiBgAAIgIICKgERCAIAAggAAoiAcAgAAOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methyl-N-(thiolan-1-ylidene)benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-methyl-N-(1-thiolanylidene)benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-methyl-N-(thiolan-1-ylidene)benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methyl-N-(thiolan-1-ylidene)benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-methyl-N-(thiolan-1-ylidene)benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H15NO2S2/c1-10-4-6-11(7-5-10)16(13,14)12-15-8-2-3-9-15/h4-7H,2-3,8-9H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
QXKOLEOFMOTPMQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
257.054421

> <PUBCHEM_MOLECULAR_FORMULA>
C11H15NO2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
257.3723

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N=S2CCCC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N=S2CCCC2

> <PUBCHEM_CACTVS_TPSA>
74.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
257.054421

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  12  8
11  14  8
12  15  8
13  14  8
13  15  8

$$$$