2-[4-(3,4-dimethoxyphenyl)butan-2-ylamino]-1-(4-methylsulfanylphenyl)propane-1,3-diol

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)butan-2-ylamino]-1-(4-methylsulfanylphenyl)propane-1,3-diol Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-1-methyl-propyl]amino]-1-(4-methylsulfanylphenyl)propane-1,3-diol CAS Name: 2-[4-(3,4-dimethoxyphenyl)butan-2-ylamino]-1-[4-(methylthio)phenyl]propane-1,3-diol IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)butan-2-ylamino]-1-(4-methylsulfanylphenyl)propane-1,3-diol Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-1-methyl-propyl]amino]-1-[4-(methylthio)phenyl]propane-1,3-diol Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=C(C=C1)OC)OC)NC(CO)C(C2=CC=C(C=C2)SC)O

Isomeric SMILES

CC(CCC1=CC(=C(C=C1)OC)OC)NC(CO)C(C2=CC=C(C=C2)SC)O

InChI

InChI=1S/C22H31NO4S/c1-15(5-6-16-7-12-20(26-2)21(13-16)27-3)23-19(14-24)22(25)17-8-10-18(28-4)11-9-17/h7-13,15,19,22-25H,5-6,14H2,1-4H3