N-[4-(4-heptylsulfanylphenyl)-2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]ethanamide

Systemtic Name: N-[4-(4-heptylsulfanylphenyl)-2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]ethanamide Openeye Name: N-[3-(4-heptylsulfanylphenyl)-1,1-bis(hydroxymethyl)propyl]acetamide CAS Name: N-[4-[4-(heptylthio)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide IUPAC Name: N-[4-(4-heptylsulfanylphenyl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide Traditional Name: N-[3-[4-(heptylthio)phenyl]-1,1-dimethylol-propyl]acetamide Formula: C20H33NO3S MolecularWeight: 367.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=CC=C(C=C1)CCC(CO)(CO)NC(=O)C

Isomeric SMILES

CCCCCCCSC1=CC=C(C=C1)CCC(CO)(CO)NC(=O)C

InChI

InChI=1S/C20H33NO3S/c1-3-4-5-6-7-14-25-19-10-8-18(9-11-19)12-13-20(15-22,16-23)21-17(2)24/h8-11,22-23H,3-7,12-16H2,1-2H3,(H,21,24)