3-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonyl-benzoic acid

Systemtic Name: 3-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonyl-benzoic acid Openeye Name: 3-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonyl-benzoic acid CAS Name: 3-(2,6-dimethyl-4-morpholinyl)-4-methylsulfonylbenzoic acid IUPAC Name: 3-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbenzoic acid Traditional Name: 3-(2,6-dimethylmorpholino)-4-mesyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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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

CC1CN(CC(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)