(1S,2S)-1-(4-methylsulfanylphenyl)-2-[(phenylmethyl)amino]propane-1,3-diol

Systemtic Name: (1S,2S)-1-(4-methylsulfanylphenyl)-2-[(phenylmethyl)amino]propane-1,3-diol Openeye Name: (1S,2S)-2-(benzylamino)-1-(4-methylsulfanylphenyl)propane-1,3-diol CAS Name: (1S,2S)-1-[4-(methylthio)phenyl]-2-[(phenylmethyl)amino]propane-1,3-diol IUPAC Name: (1S,2S)-2-(benzylamino)-1-(4-methylsulfanylphenyl)propane-1,3-diol Traditional Name: (1S,2S)-2-(benzylamino)-1-[4-(methylthio)phenyl]propane-1,3-diol Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C(CO)NCC2=CC=CC=C2)O

Isomeric SMILES

CSC1=CC=C(C=C1)[C@@H]([C@H](CO)NCC2=CC=CC=C2)O

InChI

InChI=1S/C17H21NO2S/c1-21-15-9-7-14(8-10-15)17(20)16(12-19)18-11-13-5-3-2-4-6-13/h2-10,16-20H,11-12H2,1H3/t16-,17-/m0/s1