
 CID 136494531

 58 60  0  0  0  0  0  0  0  0999 V2000
   10.3965    5.2058    6.2050 C   0  0  0  0  0
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    8.8522    3.5333   -2.1105 O   0  0  0  0  0
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    6.4975   -0.9937   -3.7889 N   0  0  0  0  0
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    4.3874   -1.1268   -4.9505 C   0  0  0  0  0
    3.0189   -0.8361   -4.8947 C   0  0  0  0  0
    2.1791   -1.2314   -5.9401 C   0  0  0  0  0
    2.7034   -1.9108   -7.0400 C   0  0  0  0  0
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    4.9049   -1.8180   -6.0529 C   0  0  0  0  0
    6.2271   -2.1456   -6.1840 O   0  0  0  0  0
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   13.0960    2.4806   -2.1210 C   0  0  0  0  0
   11.7666    2.1127   -2.3539 C   0  0  0  0  0
   15.1279    2.6062   -0.6291 C   0  0  0  0  0
   10.7899    6.1745    6.5255 H   0  0  0  0  0
   10.9678    4.4105    6.6935 H   0  0  0  0  0
    9.3608    5.1142    6.5522 H   0  0  0  0  0
   11.5029    5.1143    4.3610 H   0  0  0  0  0
    9.8869    5.8910    4.2521 H   0  0  0  0  0
   10.3630    5.4121    2.1264 H   0  0  0  0  0
    9.7417    4.7918   -0.1479 H   0  0  0  0  0
    8.0988    1.0630    1.2995 H   0  0  0  0  0
    8.7622    1.6866    3.5956 H   0  0  0  0  0
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   15.2611    2.9379    0.4055 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CID 136494531

>  <PubChem CID>
136494531

>  <Formula>
C24H25N3O5S

>  <Molecular Weight>
467.540000

>  <IUPAC Name>
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxyphenyl)methylideneamino]acetamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=CC=C2O)C3=CC=C(C=C3)C

>  <Isomeric SMILES>
CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC=CC=C2O)C3=CC=C(C=C3)C

>  <InChI Std. ID>
InChI=1S/C24H25N3O5S/c1-3-32-21-12-14-22(15-13-21)33(30,31)27(20-10-8-18(2)9-11-20)17-24(29)26-25-16-19-6-4-5-7-23(19)28/h4-16,28H,3,17H2,1-2H3,(H,26,29)

>  <InChI Key>
BMXMBAWTAZIUJK-UHFFFAOYSA-N

