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

Systemtic Name: (4-cyanophenyl)methyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (4-cyanophenyl)methyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 4-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 4-[(2R,6R)-2,6-dimethylmorpholino]sulfonylbenzoic acid (4-cyanobenzyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N2O5S/c1-15-12-23(13-16(2)28-15)29(25,26)20-9-7-19(8-10-20)21(24)27-14-18-5-3-17(11-22)4-6-18/h3-10,15-16H,12-14H2,1-2H3/t15-,16-/m1/s1