N-[4-[[5-chloranyl-2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-2-yl]oxy-phenyl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[5-chloranyl-2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-2-yl]oxy-phenyl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[5-chloro-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydrothiopyran-2-yl]oxy-phenyl]methyl]phenyl]acetamide CAS Name: N-[4-[[5-chloro-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-thianyl]oxy]phenyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[5-chloro-2-[3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]oxyphenyl]methyl]phenyl]acetamide Traditional Name: N-[4-[5-chloro-2-(3,4,5-trihydroxy-6-methylol-tetrahydrothiopyran-2-yl)oxy-benzyl]phenyl]acetamide Formula: C21H24ClNO6S MolecularWeight: 453.93636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC3C(C(C(C(S3)CO)O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC3C(C(C(C(S3)CO)O)O)O

InChI

InChI=1S/C21H24ClNO6S/c1-11(25)23-15-5-2-12(3-6-15)8-13-9-14(22)4-7-16(13)29-21-20(28)19(27)18(26)17(10-24)30-21/h2-7,9,17-21,24,26-28H,8,10H2,1H3,(H,23,25)