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

Systemtic Name: (4-bromophenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (4-bromophenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-[(2S,6S)-2,6-dimethylmorpholino]sulfonylbenzoic acid (4-bromophenyl) ester Formula: C19H20BrNO5S MolecularWeight: 454.3348

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H20BrNO5S/c1-13-11-21(12-14(2)25-13)27(23,24)18-5-3-4-15(10-18)19(22)26-17-8-6-16(20)7-9-17/h3-10,13-14H,11-12H2,1-2H3/t13-,14-/m0/s1