44382489
  -OEChem-05052412462D

 36 39  0     1  0  0  0  0  0999 V2000
    3.3590   -1.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1408   -1.2425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9825   -2.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7355   -1.0842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -2.4895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6318    3.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6746   -0.0641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7736    0.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1746    2.1266    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6446    3.1026    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5511    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4980    1.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7980    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5755    0.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1746    2.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2216    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9918   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2889    3.5494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6746   -0.6841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6527    2.4613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9136    3.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1645    1.8295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9925    1.0757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6647    0.5989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1150    1.2566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1936    1.2068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7135   -0.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1955    0.3698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7332    2.3956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0366    2.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7301    1.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6610    2.7048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6952    0.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040   -0.4511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6696   -3.1026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2 17  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44382489

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
439

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMABAAAAAAAAAAAAAAAAAAYAAAAAwYMAABgwAAAAAAAAAGgAQQAAADwCggAIAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAIAAAAAAAAEAAAAAAGAwPAPgAAAAAAAAACAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-tetracyclo[5.3.1.03,8.05,9]undecanylmethyl sulfamate

> <PUBCHEM_IUPAC_CAS_NAME>
sulfamic acid 5-tetracyclo[5.3.1.03,8.05,9]undecanylmethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-tetracyclo[5.3.1.0<SUP>3,8</SUP>.0<SUP>5,9</SUP>]undecanylmethyl sulfamate

> <PUBCHEM_IUPAC_NAME>
5-tetracyclo[5.3.1.03,8.05,9]undecanylmethyl sulfamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-tetracyclo[5.3.1.03,8.05,9]undecanylmethyl sulfamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sulfamic acid 5-tetracyclo[5.3.1.03,8.05,9]undecanylmethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H19NO3S/c13-17(14,15)16-6-12-4-8-1-7-2-9(5-12)11(8)10(12)3-7/h7-11H,1-6H2,(H2,13,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
TZNSXOZRYHBIHG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
257.10856464

> <PUBCHEM_MOLECULAR_FORMULA>
C12H19NO3S

> <PUBCHEM_MOLECULAR_WEIGHT>
257.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2CC3CC4(CC1C3C4C2)COS(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2CC3CC4(CC1C3C4C2)COS(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
77.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
257.10856464

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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  16  3
7  14  3
9  15  3

$$$$