[(1S)-1-phenylethyl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: [(1S)-1-phenylethyl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: [(1S)-1-phenylethyl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 3-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid [(1S)-1-phenylethyl] ester IUPAC Name: [(1S)-1-phenylethyl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-[(2R,6R)-2,6-dimethylmorpholino]sulfonylbenzoic acid [(1S)-1-phenylethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO5S/c1-15-13-22(14-16(2)26-15)28(24,25)20-11-7-10-19(12-20)21(23)27-17(3)18-8-5-4-6-9-18/h4-12,15-17H,13-14H2,1-3H3/t15-,16-,17+/m1/s1