(3,5-dimethylphenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: (3,5-dimethylphenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (3,5-dimethylphenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 4-[(2S,6S)-2,6-dimethylmorpholino]sulfonylbenzoic acid (3,5-dimethylphenyl) 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=C(C=C2)C(=O)OC3=CC(=CC(=C3)C)C

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)C

InChI

InChI=1S/C21H25NO5S/c1-14-9-15(2)11-19(10-14)27-21(23)18-5-7-20(8-6-18)28(24,25)22-12-16(3)26-17(4)13-22/h5-11,16-17H,12-13H2,1-4H3/t16-,17-/m0/s1