4-(2-methyl-1-oxidanylidene-1-thiomorpholin-4-yl-propan-2-yl)sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-(2-methyl-1-oxidanylidene-1-thiomorpholin-4-yl-propan-2-yl)sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-(1,1-dimethyl-2-oxo-2-thiomorpholino-ethyl)sulfonyl-3-phenyl-butanoic acid CAS Name: 4-(2-methyl-1-oxo-1-thiomorpholin-4-ylpropan-2-yl)sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-(2-methyl-1-oxo-1-thiomorpholin-4-ylpropan-2-yl)sulfonyl-3-phenylbutanoic acid Traditional Name: 4-(2-keto-1,1-dimethyl-2-thiomorpholino-ethyl)sulfonyl-3-phenyl-butyric 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(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO5S2/c1-18(2,17(22)19-8-10-25-11-9-19)26(23,24)13-15(12-16(20)21)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,20,21)