[4-[(2R)-4-tert-butylmorpholin-2-yl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(2R)-4-tert-butylmorpholin-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(2R)-4-tert-butylmorpholin-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2R)-4-tert-butyl-2-morpholinyl]phenyl] ester IUPAC Name: [4-[(2R)-4-tert-butylmorpholin-2-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(2R)-4-tert-butylmorpholin-2-yl]phenyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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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)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S/c1-16-5-11-19(12-6-16)27(23,24)26-18-9-7-17(8-10-18)20-15-22(13-14-25-20)21(2,3)4/h5-12,20H,13-15H2,1-4H3/t20-/m0/s1