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

Systemtic Name: (4-ethoxyphenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (4-ethoxyphenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 4-[(2S,6S)-2,6-dimethylmorpholino]sulfonylbenzoic acid p-phenetyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC(OC(C3)C)C

Isomeric SMILES

CCOC1=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/C21H25NO6S/c1-4-26-18-7-9-19(10-8-18)28-21(23)17-5-11-20(12-6-17)29(24,25)22-13-15(2)27-16(3)14-22/h5-12,15-16H,4,13-14H2,1-3H3/t15-,16-/m0/s1