
 CHEMBL1774004

 68 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1774004

>  <PubChem CID>
54581267

>  <Formula>
C25H34ClN3O4S

>  <Molecular Weight>
508.074000

>  <IUPAC Name>
(2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)propanamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(C(=C1S(=O)(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)NC3CCN(CC3)C)C)C)OC

>  <Isomeric SMILES>
CC1=CC(=C(C(=C1S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)Cl)C(=O)NC3CCN(CC3)C)C)C)OC

>  <InChI Std. ID>
InChI=1S/C25H34ClN3O4S/c1-16-14-23(33-5)17(2)18(3)24(16)34(31,32)28-22(15-19-6-8-20(26)9-7-19)25(30)27-21-10-12-29(4)13-11-21/h6-9,14,21-22,28H,10-13,15H2,1-5H3,(H,27,30)/t22-/m0/s1

>  <InChI Key>
BHFAKTJSTIEQNS-QFIPXVFZSA-N

