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

Systemtic Name: (3-cyanophenyl) 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (3-cyanophenyl) 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 4-[[(2R,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 4-[(2R,6S)-2,6-dimethylmorpholino]sulfonylbenzoic acid (3-cyanophenyl) ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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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=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-14-12-22(13-15(2)26-14)28(24,25)19-8-6-17(7-9-19)20(23)27-18-5-3-4-16(10-18)11-21/h3-10,14-15H,12-13H2,1-2H3/t14-,15+