2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-2-yl]oxy-N-[(4-methoxyphenyl)methyl]-6-oxidanyl-benzamide

Systemtic Name: 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-2-yl]oxy-N-[(4-methoxyphenyl)methyl]-6-oxidanyl-benzamide Openeye Name: 2-hydroxy-N-[(4-methoxyphenyl)methyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydrothiopyran-2-yl]oxy-benzamide CAS Name: 2-hydroxy-N-[(4-methoxyphenyl)methyl]-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-thianyl]oxy]benzamide IUPAC Name: 2-hydroxy-N-[(4-methoxyphenyl)methyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]oxybenzamide Traditional Name: 2-hydroxy-N-p-anisyl-6-(3,4,5-trihydroxy-6-methylol-tetrahydrothiopyran-2-yl)oxy-benzamide Formula: C21H25NO8S MolecularWeight: 451.4901

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=C(C=CC=C2OC3C(C(C(C(S3)CO)O)O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=C(C=CC=C2OC3C(C(C(C(S3)CO)O)O)O)O

InChI

InChI=1S/C21H25NO8S/c1-29-12-7-5-11(6-8-12)9-22-20(28)16-13(24)3-2-4-14(16)30-21-19(27)18(26)17(25)15(10-23)31-21/h2-8,15,17-19,21,23-27H,9-10H2,1H3,(H,22,28)