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

Systemtic Name: ethyl 3-[2-[4-[1-(methoxyamino)-2-methyl-1-oxidanylidene-propan-2-yl]sulfonylphenyl]ethyl]azetidine-1-sulfinate Openeye Name: ethyl 3-[2-[4-[2-(methoxyamino)-1,1-dimethyl-2-oxo-ethyl]sulfonylphenyl]ethyl]azetidine-1-sulfinate CAS Name: 3-[2-[4-[1-(methoxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylphenyl]ethyl]-1-azetidinesulfinic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-[1-(methoxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylphenyl]ethyl]azetidine-1-sulfinate Traditional Name: 3-[2-[4-[2-keto-2-(methoxyamino)-1,1-dimethyl-ethyl]sulfonylphenyl]ethyl]azetidine-1-sulfinic acid ethyl ester Formula: C18H28N2O6S2 MolecularWeight: 432.55472

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)N1CC(C1)CCC2=CC=C(C=C2)S(=O)(=O)C(C)(C)C(=O)NOC

Isomeric SMILES

CCOS(=O)N1CC(C1)CCC2=CC=C(C=C2)S(=O)(=O)C(C)(C)C(=O)NOC

InChI

InChI=1S/C18H28N2O6S2/c1-5-26-27(22)20-12-15(13-20)7-6-14-8-10-16(11-9-14)28(23,24)18(2,3)17(21)19-25-4/h8-11,15H,5-7,12-13H2,1-4H3,(H,19,21)