4854708
  -OEChem-05231311252D

 36 37  0     0  0  0  0  0  0999 V2000
    4.6261    3.1739    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6261    3.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    3.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921   -1.3261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -4.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    4.1739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.3261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.3261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -3.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -2.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -3.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    4.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    4.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355   -3.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791   -2.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231    1.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    1.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231    0.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    0.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231   -1.0161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956   -4.3665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701    5.2109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231    4.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8021    4.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    4.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1821    5.2109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4501    4.1370    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  7  1  0  0  0  0
  1 11  1  0  0  0  0
  4 18  2  0  0  0  0
  5 19  2  0  0  0  0
  6 20  2  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 18  1  0  0  0  0
  9 29  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 30  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 20  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4854708

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
575

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgQYQAAADADB2AQzAYLiAAKIAiFSEHDCABAkAAAeqBmIBMiIYDKAlTGQIQB4lyIIiYcYiACOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(dimethylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-(dimethylsulfamoyl)-N-(2,4-dioxo-1-imidazolidinyl)benzamide

> <PUBCHEM_IUPAC_NAME>
4-(dimethylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2,4-bis(oxidanylidene)imidazolidin-1-yl]-4-(dimethylsulfamoyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,4-diketoimidazolidin-1-yl)-4-(dimethylsulfamoyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14N4O5S/c1-15(2)22(20,21)9-5-3-8(4-6-9)11(18)14-16-7-10(17)13-12(16)19/h3-6H,7H2,1-2H3,(H,14,18)(H,13,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
PICFVFHFPNCCQJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.5

> <PUBCHEM_EXACT_MASS>
326.068491

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14N4O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
326.32836

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NN2CC(=O)NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NN2CC(=O)NC2=O

> <PUBCHEM_CACTVS_TPSA>
124

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
326.068491

> <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>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
10

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
11  15  8
13  16  8
13  17  8
14  16  8
15  17  8

$$$$