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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC)OCC(CN2CCC(CC2)(C3=CC4=CC=CC=C4N=C3)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC)OC[C@H](CN2CCC(CC2)(C3=CC4=CC=CC=C4N=C3)O)O

InChI

InChI=1S/C25H30N2O3S/c1-18-13-22(31-2)7-8-24(18)30-17-21(28)16-27-11-9-25(29,10-12-27)20-14-19-5-3-4-6-23(19)26-15-20/h3-8,13-15,21,28-29H,9-12,16-17H2,1-2H3/t21-/m0/s1