ethyl 3-[[4-[1-(methoxyamino)-2-methyl-1-oxidanylidene-propan-2-yl]sulfonylphenoxy]methyl]azetidine-1-sulfinate

Systemtic Name: ethyl 3-[[4-[1-(methoxyamino)-2-methyl-1-oxidanylidene-propan-2-yl]sulfonylphenoxy]methyl]azetidine-1-sulfinate Openeye Name: ethyl 3-[[4-[2-(methoxyamino)-1,1-dimethyl-2-oxo-ethyl]sulfonylphenoxy]methyl]azetidine-1-sulfinate CAS Name: 3-[[4-[1-(methoxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylphenoxy]methyl]-1-azetidinesulfinic acid ethyl ester IUPAC Name: ethyl 3-[[4-[1-(methoxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylphenoxy]methyl]azetidine-1-sulfinate Traditional Name: 3-[[4-[2-keto-2-(methoxyamino)-1,1-dimethyl-ethyl]sulfonylphenoxy]methyl]azetidine-1-sulfinic acid ethyl ester Formula: C17H26N2O7S2 MolecularWeight: 434.52754

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)N1CC(C1)COC2=CC=C(C=C2)S(=O)(=O)C(C)(C)C(=O)NOC

Isomeric SMILES

CCOS(=O)N1CC(C1)COC2=CC=C(C=C2)S(=O)(=O)C(C)(C)C(=O)NOC

InChI

InChI=1S/C17H26N2O7S2/c1-5-26-27(21)19-10-13(11-19)12-25-14-6-8-15(9-7-14)28(22,23)17(2,3)16(20)18-24-4/h6-9,13H,5,10-12H2,1-4H3,(H,18,20)