3-(3-methyl-4-methylsulfanyl-phenoxy)-4,5-bis(oxidanyl)-N-(2-oxidanylidenepiperidin-3-yl)cyclohexene-1-carboxamide

Systemtic Name: 3-(3-methyl-4-methylsulfanyl-phenoxy)-4,5-bis(oxidanyl)-N-(2-oxidanylidenepiperidin-3-yl)cyclohexene-1-carboxamide Openeye Name: 4,5-dihydroxy-3-(3-methyl-4-methylsulfanyl-phenoxy)-N-(2-oxo-3-piperidyl)cyclohexene-1-carboxamide CAS Name: 4,5-dihydroxy-3-[3-methyl-4-(methylthio)phenoxy]-N-(2-oxo-3-piperidinyl)-1-cyclohexenecarboxamide IUPAC Name: 4,5-dihydroxy-3-(3-methyl-4-methylsulfanylphenoxy)-N-(2-oxopiperidin-3-yl)cyclohexene-1-carboxamide Traditional Name: 4,5-dihydroxy-N-(2-keto-3-piperidyl)-3-[3-methyl-4-(methylthio)phenoxy]cyclohexene-1-carboxamide Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2C=C(CC(C2O)O)C(=O)NC3CCCNC3=O)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2C=C(CC(C2O)O)C(=O)NC3CCCNC3=O)SC

InChI

InChI=1S/C20H26N2O5S/c1-11-8-13(5-6-17(11)28-2)27-16-10-12(9-15(23)18(16)24)19(25)22-14-4-3-7-21-20(14)26/h5-6,8,10,14-16,18,23-24H,3-4,7,9H2,1-2H3,(H,21,26)(H,22,25)