2-[[1-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-oxidanylidene-propan-2-yl]sulfonylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-oxidanylidene-propan-2-yl]sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[2-(2,6-dimethylmorpholin-4-yl)-1,1-dimethyl-2-oxo-ethyl]sulfonyl-propanoic acid CAS Name: 2-[[1-(2,6-dimethyl-4-morpholinyl)-2-methyl-1-oxopropan-2-yl]sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[1-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-oxopropan-2-yl]sulfonylpropanoic acid Traditional Name: 2-benzyl-3-[2-(2,6-dimethylmorpholino)-2-keto-1,1-dimethyl-ethyl]sulfonyl-propionic acid Formula: C20H29NO6S MolecularWeight: 411.51236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)C(C)(C)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1CN(CC(O1)C)C(=O)C(C)(C)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H29NO6S/c1-14-11-21(12-15(2)27-14)19(24)20(3,4)28(25,26)13-17(18(22)23)10-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,22,23)