4-isoquinolin-4-yl-1-[3-(2-methylsulfanylphenoxy)-1-oxidanyl-propyl]piperidin-4-ol

Systemtic Name: 4-isoquinolin-4-yl-1-[3-(2-methylsulfanylphenoxy)-1-oxidanyl-propyl]piperidin-4-ol Openeye Name: 1-[1-hydroxy-3-(2-methylsulfanylphenoxy)propyl]-4-(4-isoquinolyl)piperidin-4-ol CAS Name: 1-[1-hydroxy-3-[2-(methylthio)phenoxy]propyl]-4-(4-isoquinolinyl)-4-piperidinol IUPAC Name: 1-[1-hydroxy-3-(2-methylsulfanylphenoxy)propyl]-4-isoquinolin-4-ylpiperidin-4-ol Traditional Name: 1-[1-hydroxy-3-[2-(methylthio)phenoxy]propyl]-4-(4-isoquinolyl)piperidin-4-ol Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCCC(N2CCC(CC2)(C3=CN=CC4=CC=CC=C43)O)O

Isomeric SMILES

CSC1=CC=CC=C1OCCC(N2CCC(CC2)(C3=CN=CC4=CC=CC=C43)O)O

InChI

InChI=1S/C24H28N2O3S/c1-30-22-9-5-4-8-21(22)29-15-10-23(27)26-13-11-24(28,12-14-26)20-17-25-16-18-6-2-3-7-19(18)20/h2-9,16-17,23,27-28H,10-15H2,1H3