3-[2-[4-(2-methylpropoxy)phenyl]ethylamino]-3-(4-methylsulfonylphenoxy)propane-1,2-diol

Systemtic Name: 3-[2-[4-(2-methylpropoxy)phenyl]ethylamino]-3-(4-methylsulfonylphenoxy)propane-1,2-diol Openeye Name: 3-[2-(4-isobutoxyphenyl)ethylamino]-3-(4-methylsulfonylphenoxy)propane-1,2-diol CAS Name: 3-[2-[4-(2-methylpropoxy)phenyl]ethylamino]-3-(4-methylsulfonylphenoxy)propane-1,2-diol IUPAC Name: 3-[2-[4-(2-methylpropoxy)phenyl]ethylamino]-3-(4-methylsulfonylphenoxy)propane-1,2-diol Traditional Name: 3-[2-(4-isobutoxyphenyl)ethylamino]-3-(4-mesylphenoxy)propane-1,2-diol Formula: C22H31NO6S MolecularWeight: 437.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CCNC(C(CO)O)OC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CCNC(C(CO)O)OC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C22H31NO6S/c1-16(2)15-28-18-6-4-17(5-7-18)12-13-23-22(21(25)14-24)29-19-8-10-20(11-9-19)30(3,26)27/h4-11,16,21-25H,12-15H2,1-3H3