3-[2-(8-phenyloctyl)-3-[3-(propanoylsulfamoyl)phenyl]phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(8-phenyloctyl)-3-[3-(propanoylsulfamoyl)phenyl]phenyl]sulfanylpropanoic acid Openeye Name: 3-[2-(8-phenyloctyl)-3-[3-(propanoylsulfamoyl)phenyl]phenyl]sulfanylpropanoic acid CAS Name: 3-[[3-[3-(1-oxopropylsulfamoyl)phenyl]-2-(8-phenyloctyl)phenyl]thio]propanoic acid IUPAC Name: 3-[2-(8-phenyloctyl)-3-[3-(propanoylsulfamoyl)phenyl]phenyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(8-phenyloctyl)-3-[3-(propionylsulfamoyl)phenyl]phenyl]thio]propionic acid Formula: C32H39NO5S2 MolecularWeight: 581.78576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NS(=O)(=O)C1=CC=CC(=C1)C2=C(C(=CC=C2)SCCC(=O)O)CCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NS(=O)(=O)C1=CC=CC(=C1)C2=C(C(=CC=C2)SCCC(=O)O)CCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C32H39NO5S2/c1-2-31(34)33-40(37,38)27-18-12-17-26(24-27)28-20-13-21-30(39-23-22-32(35)36)29(28)19-11-6-4-3-5-8-14-25-15-9-7-10-16-25/h7,9-10,12-13,15-18,20-21,24H,2-6,8,11,14,19,22-23H2,1H3,(H,33,34)(H,35,36)