(2S)-1-(azepan-1-yl)-3-[2-methoxy-4-[(2-methylsulfanylethylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-yl)-3-[2-methoxy-4-[(2-methylsulfanylethylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-(azepan-1-yl)-3-[2-methoxy-4-[(2-methylsulfanylethylamino)methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-azepanyl)-3-[2-methoxy-4-[[2-(methylthio)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-(azepan-1-yl)-3-[2-methoxy-4-[(2-methylsulfanylethylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(methylthio)ethylamino]methyl]phenoxy]propan-2-ol Formula: C20H34N2O3S MolecularWeight: 382.56056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCSC)OCC(CN2CCCCCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCSC)OC[C@H](CN2CCCCCC2)O

InChI

InChI=1S/C20H34N2O3S/c1-24-20-13-17(14-21-9-12-26-2)7-8-19(20)25-16-18(23)15-22-10-5-3-4-6-11-22/h7-8,13,18,21,23H,3-6,9-12,14-16H2,1-2H3/t18-/m0/s1