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

Systemtic Name: tert-butyl 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(oxidanylcarbamoyl)thiomorpholin-2-yl]ethanoate Openeye Name: tert-butyl 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]acetic acid tert-butyl ester IUPAC Name: tert-butyl 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]acetic acid tert-butyl ester Formula: C23H32N2O7S2 MolecularWeight: 512.63938

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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)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NO)(C)C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C23H32N2O7S2/c1-7-8-13-31-16-9-11-18(12-10-16)34(29,30)25-15-17(14-19(26)32-22(2,3)4)33-23(5,6)20(25)21(27)24-28/h9-12,17,20,28H,13-15H2,1-6H3,(H,24,27)