
 SCHEMBL1279288

 43 44  0  0  0  0  0  0  0  0999 V2000
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    1.6956    0.8137   -0.6993 C   0  0  0  0  0
    2.7010   -0.2856   -0.7815 N   0  0  0  0  0
    4.0014    0.0748   -0.1409 C   0  0  0  0  0
    3.9415    0.3107    1.3515 C   0  0  0  0  0
    3.4842   -0.6896    2.2191 C   0  0  0  0  0
    3.4788   -0.4833    3.6036 C   0  0  0  0  0
    3.9273    0.7269    4.1330 C   0  0  0  0  0
    4.4025    1.7180    3.2750 C   0  0  0  0  0
    4.4051    1.5176    1.8942 C   0  0  0  0  0
    3.9870    1.0373    5.4638 O   0  0  0  0  0
    3.0357    0.3771    6.2902 C   0  0  0  0  0
    2.8978   -1.0916   -2.2863 S   0  0  0  0  0
    3.8613   -2.1551   -2.0982 O   0  0  0  0  0
    1.6044   -1.3687   -2.8702 O   0  0  0  0  0
    3.6835    0.1504   -3.3011 C   0  0  0  0  0
    2.8991    1.0598   -4.0165 C   0  0  0  0  0
    3.5213    2.0608   -4.7654 C   0  0  0  0  0
    4.9209    2.1355   -4.8219 C   0  0  0  0  0
    5.6984    1.1906   -4.1385 C   0  0  0  0  0
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    6.8569    3.0700   -5.7803 O   0  0  0  0  0
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    4.7697    2.6550    3.6866 H   0  0  0  0  0
    4.7805    2.3098    1.2507 H   0  0  0  0  0
    3.0613    0.8570    7.2735 H   0  0  0  0  0
    3.2959   -0.6768    6.4279 H   0  0  0  0  0
    2.0210    0.4852    5.8922 H   0  0  0  0  0
    1.8130    1.0034   -3.9861 H   0  0  0  0  0
    2.9124    2.7832   -5.3079 H   0  0  0  0  0
    6.7847    1.2290   -4.1831 H   0  0  0  0  0
    5.6926   -0.5397   -2.8581 H   0  0  0  0  0
    7.1215    3.8404   -6.3263 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
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  1 27  1  0  0  0
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  5  6  2  0  0  0
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  7  8  2  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1279288

>  <PubChem CID>
57422333

>  <Formula>
C17H19NO5S

>  <Molecular Weight>
349.401000

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

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(CC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

>  <Isomeric SMILES>
CCN(CC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C17H19NO5S/c1-3-18(12-13-4-8-15(23-2)9-5-13)24(21,22)16-10-6-14(7-11-16)17(19)20/h4-11H,3,12H2,1-2H3,(H,19,20)

>  <InChI Key>
OMYAUUWRLTZLEE-UHFFFAOYSA-N

