4-[(4-fluorophenyl)methoxy]-6,6-dimethyl-2-(phenylsulfonyl)morpholine-3-carboxylic acid

Systemtic Name: 4-[(4-fluorophenyl)methoxy]-6,6-dimethyl-2-(phenylsulfonyl)morpholine-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-6,6-dimethyl-morpholine-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-6,6-dimethyl-3-morpholinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-6,6-dimethylmorpholine-3-carboxylic acid Traditional Name: 2-besyl-4-(4-fluorobenzyl)oxy-6,6-dimethyl-morpholine-3-carboxylic acid Formula: C20H22FNO6S MolecularWeight: 423.455183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(C(O1)S(=O)(=O)C2=CC=CC=C2)C(=O)O)OCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1(CN(C(C(O1)S(=O)(=O)C2=CC=CC=C2)C(=O)O)OCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H22FNO6S/c1-20(2)13-22(27-12-14-8-10-15(21)11-9-14)17(18(23)24)19(28-20)29(25,26)16-6-4-3-5-7-16/h3-11,17,19H,12-13H2,1-2H3,(H,23,24)