3-bromanyl-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzoate

Systemtic Name: 3-bromanyl-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzoate Openeye Name: 3-bromo-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzoate CAS Name: 3-bromo-4-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoate IUPAC Name: 3-bromo-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[(2S,6S)-2,6-dimethylmorpholino]sulfonyl-benzoate Formula: C13H15BrNO5S- MolecularWeight: 377.2309

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=C(C=C2)C(=O)[O-])Br

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=C(C=C(C=C2)C(=O)[O-])Br

InChI

InChI=1S/C13H16BrNO5S/c1-8-6-15(7-9(2)20-8)21(18,19)12-4-3-10(13(16)17)5-11(12)14/h3-5,8-9H,6-7H2,1-2H3,(H,16,17)/p-1/t8-,9-/m0/s1