[4-[(2R)-4-phenethylmorpholin-2-yl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(2R)-4-phenethylmorpholin-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(2R)-4-phenethylmorpholin-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2R)-4-phenethyl-2-morpholinyl]phenyl] ester IUPAC Name: [4-[(2R)-4-phenethylmorpholin-2-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(2R)-4-phenethylmorpholin-2-yl]phenyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3CN(CCO3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[C@@H]3CN(CCO3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H27NO4S/c1-20-7-13-24(14-8-20)31(27,28)30-23-11-9-22(10-12-23)25-19-26(17-18-29-25)16-15-21-5-3-2-4-6-21/h2-14,25H,15-19H2,1H3/t25-/m0/s1