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

Systemtic Name: 3-[1-(methylsulfonylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 2-hydroxy-3-[2-(methanesulfonamido)-1-methyl-2-oxo-ethyl]sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 2-hydroxy-3-[[1-(methanesulfonamido)-1-oxopropan-2-yl]thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 2-hydroxy-3-[1-(methanesulfonamido)-1-oxopropan-2-yl]sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 2-hydroxy-3-[[2-keto-2-(methanesulfonamido)-1-methyl-ethyl]thio]-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C27H37NO6S2 MolecularWeight: 535.71578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NS(=O)(=O)C)SC(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)C(C(=O)O)O

Isomeric SMILES

CC(C(=O)NS(=O)(=O)C)SC(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)C(C(=O)O)O

InChI

InChI=1S/C27H37NO6S2/c1-20(26(30)28-36(2,33)34)35-25(24(29)27(31)32)23-19-13-12-18-22(23)17-11-6-4-3-5-8-14-21-15-9-7-10-16-21/h7,9-10,12-13,15-16,18-20,24-25,29H,3-6,8,11,14,17H2,1-2H3,(H,28,30)(H,31,32)