2-(4-methoxyphenoxy)ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: 2-(4-methoxyphenoxy)ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: 2-(4-methoxyphenoxy)ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 3-[[(2S,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid 2-(4-methoxyphenoxy)ethyl ester IUPAC Name: 2-(4-methoxyphenoxy)ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-[(2S,6R)-2,6-dimethylmorpholino]sulfonylbenzoic acid 2-(4-methoxyphenoxy)ethyl ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27NO7S/c1-16-14-23(15-17(2)30-16)31(25,26)21-6-4-5-18(13-21)22(24)29-12-11-28-20-9-7-19(27-3)8-10-20/h4-10,13,16-17H,11-12,14-15H2,1-3H3/t16-,17+