24982676
  -OEChem-05052420302D

 41 43  0     0  0  0  0  0  0999 V2000
    2.0000   -3.3512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6488    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    4.7420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.3512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    3.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    6.1433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    5.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    6.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.8388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    4.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.4338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294    5.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650    6.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 20  1  0  0  0  0
  3 27  1  0  0  0  0
  4 26  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 18  2  0  0  0  0
  9 20  1  0  0  0  0
  9 33  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 10 34  1  0  0  0  0
 11 20  2  0  0  0  0
 11 28  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 37  1  0  0  0  0
 24 26  2  0  0  0  0
 24 38  1  0  0  0  0
 25 26  1  0  0  0  0
 25 39  1  0  0  0  0
 27 28  2  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24982676

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
628

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OQBkAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwYQQAAACA7l0i6915LIFAqsADV3dHLC+LlxL3lIyBxeb4iOJiPFs5+HOCjk1BPY6CeQQAAAAAQAAAAACAAACAAAAAAQAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-chloro-4-fluoro-phenoxy)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-chloro-4-fluorophenoxy)-N-[4-(2-thiazolylsulfamoyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-chloro-4-fluorophenoxy)-<I>N</I>-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-(2-chloro-4-fluorophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-chloranyl-4-fluoranyl-phenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-chloro-4-fluoro-phenoxy)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H13ClFN3O4S2/c18-14-9-11(19)1-6-15(14)26-10-16(23)21-12-2-4-13(5-3-12)28(24,25)22-17-20-7-8-27-17/h1-9H,10H2,(H,20,22)(H,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
OTNBQAHBWJOVLR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
441.0020041

> <PUBCHEM_MOLECULAR_FORMULA>
C17H13ClFN3O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
441.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1NC(=O)COC2=C(C=C(C=C2)F)Cl)S(=O)(=O)NC3=NC=CS3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1NC(=O)COC2=C(C=C(C=C2)F)Cl)S(=O)(=O)NC3=NC=CS3

> <PUBCHEM_CACTVS_TPSA>
134

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
441.0020041

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
11  20  8
11  28  8
12  14  8
12  15  8
13  16  8
13  17  8
14  16  8
15  17  8
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
27  28  8
3  20  8
3  27  8

$$$$