2-[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(oxidanylcarbamoyl)thiomorpholin-2-yl]ethanoate

Systemtic Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(oxidanylcarbamoyl)thiomorpholin-2-yl]ethanoate Openeye Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-6,6-dimethyl-thiomorpholin-2-yl]acetate CAS Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-5-[(hydroxyamino)-oxomethyl]-6,6-dimethyl-2-thiomorpholinyl]acetate IUPAC Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-6,6-dimethylthiomorpholin-2-yl]acetate Traditional Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-6,6-dimethyl-thiomorpholin-2-yl]acetate Formula: C19H23N2O7S2- MolecularWeight: 455.52512

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NO)(C)C)CC(=O)[O-]

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NO)(C)C)CC(=O)[O-]

InChI

InChI=1S/C19H24N2O7S2/c1-4-5-10-28-13-6-8-15(9-7-13)30(26,27)21-12-14(11-16(22)23)29-19(2,3)17(21)18(24)20-25/h6-9,14,17,25H,10-12H2,1-3H3,(H,20,24)(H,22,23)/p-1