
 CHEMBL544753

 66 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL544753

>  <PubChem CID>
45260511

>  <Formula>
C28H31ClN2O3S

>  <Molecular Weight>
511.077000

>  <IUPAC Name>
4-methoxy-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)OC.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)OC.Cl

>  <InChI Std. ID>
InChI=1S/C28H30N2O3S.ClH/c1-21(27-14-8-12-23-11-6-7-13-28(23)27)29-20-24(19-22-9-4-3-5-10-22)30-34(31,32)26-17-15-25(33-2)16-18-26;/h3-18,21,24,29-30H,19-20H2,1-2H3;1H

>  <InChI Key>
BWPOOBFQHJNHQE-UHFFFAOYSA-N

