
 SCHEMBL1279135

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M  END

>  <Chemical Name>
SCHEMBL1279135

>  <PubChem CID>
57450324

>  <Formula>
C22H26FNO4S

>  <Molecular Weight>
419.511000

>  <IUPAC Name>
4-[[benzylsulfonyl-[(4-fluorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(CCC1CN(CC2=CC=C(C=C2)F)S(=O)(=O)CC3=CC=CC=C3)C(=O)O

>  <Isomeric SMILES>
C1CC(CCC1CN(CC2=CC=C(C=C2)F)S(=O)(=O)CC3=CC=CC=C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H26FNO4S/c23-21-12-8-18(9-13-21)15-24(14-17-6-10-20(11-7-17)22(25)26)29(27,28)16-19-4-2-1-3-5-19/h1-5,8-9,12-13,17,20H,6-7,10-11,14-16H2,(H,25,26)

>  <InChI Key>
BJQSFVUCCKFJTR-UHFFFAOYSA-N

