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

Systemtic Name: (4-ethylphenyl) 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (4-ethylphenyl) 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 3-[[(2R,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-[(2R,6S)-2,6-dimethylmorpholino]sulfonylbenzoic acid (4-ethylphenyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(OC(C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3C[C@H](O[C@H](C3)C)C

InChI

InChI=1S/C21H25NO5S/c1-4-17-8-10-19(11-9-17)27-21(23)18-6-5-7-20(12-18)28(24,25)22-13-15(2)26-16(3)14-22/h5-12,15-16H,4,13-14H2,1-3H3/t15-,16+