N-[(2S,3S)-1,3-bis(oxidanyl)-4-tridecylsulfanyl-butan-2-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[(2S,3S)-1,3-bis(oxidanyl)-4-tridecylsulfanyl-butan-2-yl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-3-tridecylsulfanyl-propyl]benzamide CAS Name: 4-tert-butyl-N-[(2S,3S)-1,3-dihydroxy-4-(tridecylthio)butan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S,3S)-1,3-dihydroxy-4-tridecylsulfanylbutan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S,2S)-2-hydroxy-1-methylol-3-(tridecylthio)propyl]benzamide Formula: C28H49NO3S MolecularWeight: 479.75856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSCC(C(CO)NC(=O)C1=CC=C(C=C1)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCSC[C@H]([C@H](CO)NC(=O)C1=CC=C(C=C1)C(C)(C)C)O

InChI

InChI=1S/C28H49NO3S/c1-5-6-7-8-9-10-11-12-13-14-15-20-33-22-26(31)25(21-30)29-27(32)23-16-18-24(19-17-23)28(2,3)4/h16-19,25-26,30-31H,5-15,20-22H2,1-4H3,(H,29,32)/t25-,26+/m0/s1