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

Systemtic Name: 2-[(2-methyl-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(1,1-dimethyl-2-morpholino-2-oxo-ethyl)sulfonyl-propanoic acid CAS Name: 2-[[2-methyl-1-(4-morpholinyl)-1-oxopropan-2-yl]sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid Traditional Name: 2-benzyl-3-(2-keto-1,1-dimethyl-2-morpholino-ethyl)sulfonyl-propionic acid Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H25NO6S/c1-18(2,17(22)19-8-10-25-11-9-19)26(23,24)13-15(16(20)21)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,20,21)