
 SCHEMBL1279804

 53 55  0  0  0  0  0  0  0  0999 V2000
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    0.1984   -0.1402    0.5699 H   0  0  0  0  0
    1.5984    0.7600    0.0162 H   0  0  0  0  0
    1.1630   -2.2428   -0.2357 H   0  0  0  0  0
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    3.7802    6.2033    0.0354 H   0  0  0  0  0
    2.9618    4.8220   -0.7060 H   0  0  0  0  0
    4.6270    5.2913   -1.2200 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1279804

>  <PubChem CID>
57422386

>  <Formula>
C23H23NO5S

>  <Molecular Weight>
425.499000

>  <IUPAC Name>
4-[(4-methoxyphenyl)methyl-(1-phenylethyl)sulfamoyl]benzoic acid

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C23H23NO5S/c1-17(19-6-4-3-5-7-19)24(16-18-8-12-21(29-2)13-9-18)30(27,28)22-14-10-20(11-15-22)23(25)26/h3-15,17H,16H2,1-2H3,(H,25,26)

>  <InChI Key>
GTVNITWIMLZHAO-UHFFFAOYSA-N

