
 SCHEMBL1615504

 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1615504

>  <PubChem CID>
57422404

>  <Formula>
C23H29NO5S

>  <Molecular Weight>
431.547000

>  <IUPAC Name>
4-[[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)OC

>  <Isomeric SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)OC

>  <InChI Std. ID>
InChI=1S/C23H29NO5S/c1-17-6-12-22(13-7-17)30(27,28)24(16-19-4-3-5-21(14-19)29-2)15-18-8-10-20(11-9-18)23(25)26/h3-7,12-14,18,20H,8-11,15-16H2,1-2H3,(H,25,26)

>  <InChI Key>
UMYOESGWZRLFFO-UHFFFAOYSA-N

