71721501
  -OEChem-05042401352D

 44 47  0     0  0  0  0  0  0999 V2000
    3.1200    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5841   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4501   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0841   -1.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6120    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0921   -0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6120    2.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0921   -2.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5181    0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1860   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5181    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1860   -2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4491    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2550   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6048   -0.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0992    0.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6048    3.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0992   -3.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0538    0.6671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503   -0.6671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0538    2.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503   -2.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9300    1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7041   -1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7741   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 21  2  0  0  0  0
 12 16  1  0  0  0  0
 12 22  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 23  2  0  0  0  0
 16 20  1  0  0  0  0
 16 24  2  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 25  1  0  0  0  0
 21 33  1  0  0  0  0
 22 26  1  0  0  0  0
 22 34  1  0  0  0  0
 23 27  1  0  0  0  0
 23 35  1  0  0  0  0
 24 28  1  0  0  0  0
 24 36  1  0  0  0  0
 25 27  2  0  0  0  0
 25 37  1  0  0  0  0
 26 28  2  0  0  0  0
 26 38  1  0  0  0  0
 27 39  1  0  0  0  0
 28 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71721501

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
705

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABgAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAADBVAAAGAQQQAAADACAWAAwAcAAAAKAAiBCAHBCABAgAAAIiBgAAIgIICKAERCAIAAggAAIiAcAgMAOkAACgAAUAAAgAAUAACgAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(2-sulfamoyl-1-naphthyl)naphthalene-2-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-(2-sulfamoyl-1-naphthalenyl)-2-naphthalenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2-sulfamoylnaphthalen-1-yl)naphthalene-2-sulfonamide

> <PUBCHEM_IUPAC_NAME>
1-(2-sulfamoylnaphthalen-1-yl)naphthalene-2-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-sulfamoylnaphthalen-1-yl)naphthalene-2-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(2-sulfamoyl-1-naphthyl)naphthalene-2-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H16N2O4S2/c21-27(23,24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)28(22,25)26/h1-12H,(H2,21,23,24)(H2,22,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
GHOMEMIQVSTVEP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
412.05514934

> <PUBCHEM_MOLECULAR_FORMULA>
C20H16N2O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
412.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)S(=O)(=O)N)S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)S(=O)(=O)N)S(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
137

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
412.05514934

> <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>
10  12  8
10  14  8
11  15  8
11  21  8
12  16  8
12  22  8
13  17  8
14  18  8
15  19  8
15  23  8
16  20  8
16  24  8
17  19  8
18  20  8
21  25  8
22  26  8
23  27  8
24  28  8
25  27  8
26  28  8
9  11  8
9  13  8

$$$$