4-isoquinolin-4-yl-1-[3-(2-methyl-4-methylsulfanyl-phenoxy)-1-oxidanyl-propyl]piperidin-4-ol

Systemtic Name: 4-isoquinolin-4-yl-1-[3-(2-methyl-4-methylsulfanyl-phenoxy)-1-oxidanyl-propyl]piperidin-4-ol Openeye Name: 1-[1-hydroxy-3-(2-methyl-4-methylsulfanyl-phenoxy)propyl]-4-(4-isoquinolyl)piperidin-4-ol CAS Name: 1-[1-hydroxy-3-[2-methyl-4-(methylthio)phenoxy]propyl]-4-(4-isoquinolinyl)-4-piperidinol IUPAC Name: 1-[1-hydroxy-3-(2-methyl-4-methylsulfanylphenoxy)propyl]-4-isoquinolin-4-ylpiperidin-4-ol Traditional Name: 1-[1-hydroxy-3-[2-methyl-4-(methylthio)phenoxy]propyl]-4-(4-isoquinolyl)piperidin-4-ol Formula: C25H30N2O3S MolecularWeight: 438.5823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC)OCCC(N2CCC(CC2)(C3=CN=CC4=CC=CC=C43)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC)OCCC(N2CCC(CC2)(C3=CN=CC4=CC=CC=C43)O)O

InChI

InChI=1S/C25H30N2O3S/c1-18-15-20(31-2)7-8-23(18)30-14-9-24(28)27-12-10-25(29,11-13-27)22-17-26-16-19-5-3-4-6-21(19)22/h3-8,15-17,24,28-29H,9-14H2,1-2H3