
 SCHEMBL1279372

 54 56  0  0  0  0  0  0  0  0999 V2000
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    6.3093    4.9014   -1.1469 N   0  0  0  0  0
    6.3604    4.2331   -2.4725 C   0  0  0  0  0
    7.7548    3.9162   -2.9610 C   0  0  0  0  0
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    9.8195    2.6322   -2.7826 C   0  0  0  0  0
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    9.5976    4.3107   -4.4924 C   0  0  0  0  0
    8.3037    4.5999   -4.0520 C   0  0  0  0  0
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    6.7592    6.5564   -1.0997 S   0  0  0  0  0
    6.4221    7.0835    0.2018 O   0  0  0  0  0
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    3.6646    9.7901   -6.1420 O   0  0  0  0  0
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    2.3267   -1.1880   -1.2695 H   0  0  0  0  0
    1.7160   -0.9977    0.4200 H   0  0  0  0  0
    6.0187    0.0966    0.7970 H   0  0  0  0  0
    6.6748    2.4738    0.6176 H   0  0  0  0  0
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    7.7406    5.3758   -4.5616 H   0  0  0  0  0
   13.5339    2.5509   -4.0323 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1279372

>  <PubChem CID>
57422340

>  <Formula>
C23H23NO6S

>  <Molecular Weight>
441.498000

>  <IUPAC Name>
4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

>  <Isomeric SMILES>
COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H23NO6S/c1-29-20-9-3-17(4-10-20)15-24(16-18-5-11-21(30-2)12-6-18)31(27,28)22-13-7-19(8-14-22)23(25)26/h3-14H,15-16H2,1-2H3,(H,25,26)

>  <InChI Key>
UTJJOCHFKNHIHL-UHFFFAOYSA-N

