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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=CC=C3Br

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=CC=C3Br

InChI

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