1,3-benzodioxol-5-yl 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: 1,3-benzodioxol-5-yl 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 3-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-[(2R,6R)-2,6-dimethylmorpholino]sulfonylbenzoic acid 1,3-benzodioxol-5-yl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21NO7S/c1-13-10-21(11-14(2)27-13)29(23,24)17-5-3-4-15(8-17)20(22)28-16-6-7-18-19(9-16)26-12-25-18/h3-9,13-14H,10-12H2,1-2H3/t13-,14-/m1/s1