methyl 4-[4-[2,2-dimethyl-3-(oxidanylcarbamoyl)thiomorpholin-4-yl]sulfonylphenoxy]but-2-ynoate

Systemtic Name: methyl 4-[4-[2,2-dimethyl-3-(oxidanylcarbamoyl)thiomorpholin-4-yl]sulfonylphenoxy]but-2-ynoate Openeye Name: methyl 4-[4-[3-(hydroxycarbamoyl)-2,2-dimethyl-thiomorpholin-4-yl]sulfonylphenoxy]but-2-ynoate CAS Name: 4-[4-[[3-[(hydroxyamino)-oxomethyl]-2,2-dimethyl-4-thiomorpholinyl]sulfonyl]phenoxy]-2-butynoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(hydroxycarbamoyl)-2,2-dimethylthiomorpholin-4-yl]sulfonylphenoxy]but-2-ynoate Traditional Name: 4-[4-[3-(hydroxycarbamoyl)-2,2-dimethyl-thiomorpholin-4-yl]sulfonylphenoxy]but-2-ynoic acid methyl ester Formula: C18H22N2O7S2 MolecularWeight: 442.50648

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(=O)OC)C(=O)NO)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(=O)OC)C(=O)NO)C

InChI

InChI=1S/C18H22N2O7S2/c1-18(2)16(17(22)19-23)20(10-12-28-18)29(24,25)14-8-6-13(7-9-14)27-11-4-5-15(21)26-3/h6-9,16,23H,10-12H2,1-3H3,(H,19,22)