methane; 5-(2-methyl-2-morpholin-4-yl-propanoyl)-2-methylsulfanyl-benzenesulfonic acid

Systemtic Name: methane; 5-(2-methyl-2-morpholin-4-yl-propanoyl)-2-methylsulfanyl-benzenesulfonic acid Openeye Name: methane; 5-(2-methyl-2-morpholino-propanoyl)-2-methylsulfanyl-benzenesulfonic acid CAS Name: methane; 5-[2-methyl-2-(4-morpholinyl)-1-oxopropyl]-2-(methylthio)benzenesulfonic acid IUPAC Name: methane; 5-(2-methyl-2-morpholin-4-ylpropanoyl)-2-methylsulfanylbenzenesulfonic acid Traditional Name: methane; 5-(2-methyl-2-morpholino-propanoyl)-2-(methylthio)besylic acid Formula: C16H25NO5S2 MolecularWeight: 375.5034

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(C)(C(=O)C1=CC(=C(C=C1)SC)S(=O)(=O)O)N2CCOCC2

Isomeric SMILES

C.CC(C)(C(=O)C1=CC(=C(C=C1)SC)S(=O)(=O)O)N2CCOCC2

InChI

InChI=1S/C15H21NO5S2.CH4/c1-15(2,16-6-8-21-9-7-16)14(17)11-4-5-12(22-3)13(10-11)23(18,19)20;/h4-5,10H,6-9H2,1-3H3,(H,18,19,20);1H4