71793
  -OEChem-04232406372D

 33 34  0     0  0  0  0  0  0999 V2000
    3.0000   -4.1012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1012    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3147    3.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8147    4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6456    2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8366    3.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7296    2.7744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163    3.5996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3811    4.3534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6231    4.6909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3356    1.9551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1472    2.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7718    4.5099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2166    3.8933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    2.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 28  1  0  0  0  0
  8 13  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 16 18  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71793

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
409

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgYYQAAACALBUCQxAYJiAAKIACBCEHBCABAgBQAeqBgIAogIICKBkxCEIAAwgACIiAcAAAAAAAIAAAAAAAAABAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-chlorophenyl)sulfonyl-3-pyrrolidin-1-yl-urea

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-chlorophenyl)sulfonyl-3-(1-pyrrolidinyl)urea

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylurea

> <PUBCHEM_IUPAC_NAME>
1-(4-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylurea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(4-chlorophenyl)sulfonyl-3-pyrrolidin-1-yl-urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-chlorophenyl)sulfonyl-3-pyrrolidino-urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H14ClN3O3S/c12-9-3-5-10(6-4-9)19(17,18)14-11(16)13-15-7-1-2-8-15/h3-6H,1-2,7-8H2,(H2,13,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
HNSCCNJWTJUGNQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.9

> <PUBCHEM_EXACT_MASS>
303.0444402

> <PUBCHEM_MOLECULAR_FORMULA>
C11H14ClN3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
303.77

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
86.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.0444402

> <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>
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8

$$$$