(4-methylsulfanylphenyl) 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: (4-methylsulfanylphenyl) 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (4-methylsulfanylphenyl) 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 4-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 4-[(2R,6R)-2,6-dimethylmorpholino]sulfonylbenzoic acid [4-(methylthio)phenyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)SC

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H23NO5S2/c1-14-12-21(13-15(2)25-14)28(23,24)19-10-4-16(5-11-19)20(22)26-17-6-8-18(27-3)9-7-17/h4-11,14-15H,12-13H2,1-3H3/t14-,15-/m1/s1