3-(4-fluorophenyl)-4-(2-methyl-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfonyl-butanoic acid

Systemtic Name: 3-(4-fluorophenyl)-4-(2-methyl-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfonyl-butanoic acid Openeye Name: 4-(1,1-dimethyl-2-morpholino-2-oxo-ethyl)sulfonyl-3-(4-fluorophenyl)butanoic acid CAS Name: 3-(4-fluorophenyl)-4-[2-methyl-1-(4-morpholinyl)-1-oxopropan-2-yl]sulfonylbutanoic acid IUPAC Name: 3-(4-fluorophenyl)-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylbutanoic acid Traditional Name: 3-(4-fluorophenyl)-4-(2-keto-1,1-dimethyl-2-morpholino-ethyl)sulfonyl-butyric acid Formula: C18H24FNO6S MolecularWeight: 401.449663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CC(CC(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CC(CC(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H24FNO6S/c1-18(2,17(23)20-7-9-26-10-8-20)27(24,25)12-14(11-16(21)22)13-3-5-15(19)6-4-13/h3-6,14H,7-12H2,1-2H3,(H,21,22)