(4-bromophenyl)methyl 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: (4-bromophenyl)methyl 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (4-bromophenyl)methyl 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-[(2S,6S)-2,6-dimethylmorpholino]sulfonylbenzoic acid (4-bromobenzyl) ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrNO5S/c1-14-11-22(12-15(2)27-14)28(24,25)19-5-3-4-17(10-19)20(23)26-13-16-6-8-18(21)9-7-16/h3-10,14-15H,11-13H2,1-2H3/t14-,15-/m0/s1