2123690
  -OEChem-05072423152D

 51 53  0     0  0  0  0  0  0999 V2000
    9.7734    3.1307    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3988    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1097    2.4920    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    3.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    3.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -2.0186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -2.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -2.0186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -4.1838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -4.1838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -3.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.1263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.1263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182   -1.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2382   -0.5643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8399    4.3082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.3618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5310    4.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  2  0  0  0  0
  2  8  2  0  0  0  0
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  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
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  5 21  1  0  0  0  0
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 23 43  1  0  0  0  0
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 25 27  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
2123690

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
585

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABkAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAAABwAAAHgYQQAAACA7h0CYyx4NABAqEACRCQHDDCZAhLxBIiBgPbogOJiLlspuHOCjm0Bn46AfQUAMAAQCAAgAAEAACAQAEAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-N-(2,5-diethoxy-4-morpholino-phenyl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-thiophenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-<I>N</I>-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_NAME>
5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-N-(2,5-diethoxy-4-morpholino-phenyl)thiophene-2-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H23ClN2O5S2/c1-3-25-15-12-14(21-7-9-24-10-8-21)16(26-4-2)11-13(15)20-28(22,23)18-6-5-17(19)27-18/h5-6,11-12,20H,3-4,7-10H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HSKMWGCLXVVBST-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
446.0736919

> <PUBCHEM_MOLECULAR_FORMULA>
C18H23ClN2O5S2

> <PUBCHEM_MOLECULAR_WEIGHT>
447.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(S2)Cl)OCC)N3CCOCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(S2)Cl)OCC)N3CCOCC3

> <PUBCHEM_CACTVS_TPSA>
114

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
446.0736919

> <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>
13  16  8
13  17  8
16  20  8
17  19  8
18  19  8
18  20  8
22  25  8
25  27  8
27  28  8
3  22  8
3  28  8

$$$$