2-oxidanyl-3-[1-oxidanylidene-1-(phenylsulfonylamino)propan-2-yl]sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid

Systemtic Name: 2-oxidanyl-3-[1-oxidanylidene-1-(phenylsulfonylamino)propan-2-yl]sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 3-[2-(benzenesulfonamido)-1-methyl-2-oxo-ethyl]sulfanyl-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 3-[[1-(benzenesulfonamido)-1-oxopropan-2-yl]thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 3-[1-(benzenesulfonamido)-1-oxopropan-2-yl]sulfanyl-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 3-[[2-(benzenesulfonamido)-2-keto-1-methyl-ethyl]thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C32H39NO6S2 MolecularWeight: 597.78516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NS(=O)(=O)C1=CC=CC=C1)SC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)O)O

Isomeric SMILES

CC(C(=O)NS(=O)(=O)C1=CC=CC=C1)SC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)O)O

InChI

InChI=1S/C32H39NO6S2/c1-24(31(35)33-41(38,39)27-21-12-7-13-22-27)40-30(29(34)32(36)37)28-23-15-14-20-26(28)19-11-5-3-2-4-8-16-25-17-9-6-10-18-25/h6-7,9-10,12-15,17-18,20-24,29-30,34H,2-5,8,11,16,19H2,1H3,(H,33,35)(H,36,37)