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

Systemtic Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-methylsulfonyl-benzoate Openeye Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-methylsulfonyl-benzoate CAS Name: 3-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-4-methylsulfonylbenzoate IUPAC Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-methylsulfonylbenzoate Traditional Name: 3-[(2S,6S)-2,6-dimethylmorpholino]-4-mesyl-benzoate Formula: C14H18NO5S- MolecularWeight: 312.36142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-9-7-15(8-10(2)20-9)12-6-11(14(16)17)4-5-13(12)21(3,18)19/h4-6,9-10H,7-8H2,1-3H3,(H,16,17)/p-1/t9-,10-/m0/s1