[4-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2R)-4-[(1S)-1-phenylethyl]-2-morpholinyl]phenyl] ester IUPAC Name: [4-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]phenyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO4S/c1-19-8-14-24(15-9-19)31(27,28)30-23-12-10-22(11-13-23)25-18-26(16-17-29-25)20(2)21-6-4-3-5-7-21/h3-15,20,25H,16-18H2,1-2H3/t20-,25-/m0/s1