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

Systemtic Name: (4-ethylphenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (4-ethylphenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 4-[(2S,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=C(C=C2)S(=O)(=O)N3CC(OC(C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-4-17-5-9-19(10-6-17)27-21(23)18-7-11-20(12-8-18)28(24,25)22-13-15(2)26-16(3)14-22/h5-12,15-16H,4,13-14H2,1-3H3/t15-,16-/m0/s1