7-[4-[2,2-dimethyl-3-(oxidanylcarbamoyl)thiomorpholin-4-yl]sulfonylphenoxy]hept-5-ynyl ethanoate

Systemtic Name: 7-[4-[2,2-dimethyl-3-(oxidanylcarbamoyl)thiomorpholin-4-yl]sulfonylphenoxy]hept-5-ynyl ethanoate Openeye Name: 7-[4-[3-(hydroxycarbamoyl)-2,2-dimethyl-thiomorpholin-4-yl]sulfonylphenoxy]hept-5-ynyl acetate CAS Name: acetic acid 7-[4-[[3-[(hydroxyamino)-oxomethyl]-2,2-dimethyl-4-thiomorpholinyl]sulfonyl]phenoxy]hept-5-ynyl ester IUPAC Name: 7-[4-[3-(hydroxycarbamoyl)-2,2-dimethylthiomorpholin-4-yl]sulfonylphenoxy]hept-5-ynyl acetate Traditional Name: acetic acid 7-[4-[3-(hydroxycarbamoyl)-2,2-dimethyl-thiomorpholin-4-yl]sulfonylphenoxy]hept-5-ynyl ester Formula: C22H30N2O7S2 MolecularWeight: 498.6128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)NO)(C)C

Isomeric SMILES

CC(=O)OCCCCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)NO)(C)C

InChI

InChI=1S/C22H30N2O7S2/c1-17(25)30-14-7-5-4-6-8-15-31-18-9-11-19(12-10-18)33(28,29)24-13-16-32-22(2,3)20(24)21(26)23-27/h9-12,20,27H,4-5,7,13-16H2,1-3H3,(H,23,26)