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

Systemtic Name: 2-[(2-methyl-1-oxidanylidene-1-thiomorpholin-4-yl-propan-2-yl)sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(1,1-dimethyl-2-oxo-2-thiomorpholino-ethyl)sulfonyl-propanoic acid CAS Name: 2-[(2-methyl-1-oxo-1-thiomorpholin-4-ylpropan-2-yl)sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(2-methyl-1-oxo-1-thiomorpholin-4-ylpropan-2-yl)sulfonylpropanoic acid Traditional Name: 2-benzyl-3-(2-keto-1,1-dimethyl-2-thiomorpholino-ethyl)sulfonyl-propionic acid Formula: C18H25NO5S2 MolecularWeight: 399.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCSCC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C(=O)N1CCSCC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H25NO5S2/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)