methyl (2R)-4-methylsulfanyl-2-[[4-(6-oxidanylhex-1-ynyl)phenyl]sulfonylamino]butanoate

Systemtic Name: methyl (2R)-4-methylsulfanyl-2-[[4-(6-oxidanylhex-1-ynyl)phenyl]sulfonylamino]butanoate Openeye Name: methyl (2R)-2-[[4-(6-hydroxyhex-1-ynyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[4-(6-hydroxyhex-1-ynyl)phenyl]sulfonylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(6-hydroxyhex-1-ynyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[4-(6-hydroxyhex-1-ynyl)phenyl]sulfonylamino]-4-(methylthio)butyric acid methyl ester Formula: C18H25NO5S2 MolecularWeight: 399.5248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NS(=O)(=O)C1=CC=C(C=C1)C#CCCCCO

Isomeric SMILES

COC(=O)[C@@H](CCSC)NS(=O)(=O)C1=CC=C(C=C1)C#CCCCCO

InChI

InChI=1S/C18H25NO5S2/c1-24-18(21)17(12-14-25-2)19-26(22,23)16-10-8-15(9-11-16)7-5-3-4-6-13-20/h8-11,17,19-20H,3-4,6,12-14H2,1-2H3/t17-/m1/s1