4-[(5-fluoranyl-2-methyl-phenyl)methoxy]-2,6-dimethyl-2-(phenylsulfonyl)morpholine-3-carboxylic acid

Systemtic Name: 4-[(5-fluoranyl-2-methyl-phenyl)methoxy]-2,6-dimethyl-2-(phenylsulfonyl)morpholine-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(5-fluoro-2-methyl-phenyl)methoxy]-2,6-dimethyl-morpholine-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(5-fluoro-2-methylphenyl)methoxy]-2,6-dimethyl-3-morpholinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(5-fluoro-2-methylphenyl)methoxy]-2,6-dimethylmorpholine-3-carboxylic acid Traditional Name: 2-besyl-4-(5-fluoro-2-methyl-benzyl)oxy-2,6-dimethyl-morpholine-3-carboxylic acid Formula: C21H24FNO6S MolecularWeight: 437.481763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C(O1)(C)S(=O)(=O)C2=CC=CC=C2)C(=O)O)OCC3=C(C=CC(=C3)F)C

Isomeric SMILES

CC1CN(C(C(O1)(C)S(=O)(=O)C2=CC=CC=C2)C(=O)O)OCC3=C(C=CC(=C3)F)C

InChI

InChI=1S/C21H24FNO6S/c1-14-9-10-17(22)11-16(14)13-28-23-12-15(2)29-21(3,19(23)20(24)25)30(26,27)18-7-5-4-6-8-18/h4-11,15,19H,12-13H2,1-3H3,(H,24,25)