
 CHEMBL411037

 82 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL411037

>  <PubChem CID>
44326438

>  <Formula>
C34H37Cl2N3O4S2

>  <Molecular Weight>
686.707000

>  <IUPAC Name>
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methyl-3-sulfamoylnaphthalene-1-carboxamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(CC(CCN1CCC(CC1)C2=CC=CC=C2S(=O)C)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)S(=O)(=O)N

>  <Isomeric SMILES>
CN(C[C@@H](CCN1CCC(CC1)C2=CC=CC=C2S(=O)C)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)S(=O)(=O)N

>  <InChI Std. ID>
InChI=1S/C34H37Cl2N3O4S2/c1-38(34(40)30-21-27(45(37,42)43)19-25-7-3-4-8-28(25)30)22-26(24-11-12-31(35)32(36)20-24)15-18-39-16-13-23(14-17-39)29-9-5-6-10-33(29)44(2)41/h3-12,19-21,23,26H,13-18,22H2,1-2H3,(H2,37,42,43)/t26-,44?/m1/s1

>  <InChI Key>
DGMLGHXEKBUEAR-PYBKUMTLSA-N

