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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2CCC(=O)NS(=O)(=O)C3=CC=CC(=C3)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2CCC(=O)NS(=O)(=O)C3=CC=CC(=C3)SCCC(=O)O

InChI

InChI=1S/C32H39NO5S2/c34-31(33-40(37,38)30-20-12-19-29(25-30)39-24-23-32(35)36)22-21-28-18-11-10-17-27(28)16-9-4-2-1-3-6-13-26-14-7-5-8-15-26/h5,7-8,10-12,14-15,17-20,25H,1-4,6,9,13,16,21-24H2,(H,33,34)(H,35,36)