3-[3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]-3-(phenylsulfonylamino)propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]-3-(phenylsulfonylamino)propyl]sulfanylpropanoic acid Openeye Name: 3-[3-(benzenesulfonamido)-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylpropanoic acid CAS Name: 3-[[3-(benzenesulfonamido)-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]propanoic acid IUPAC Name: 3-[3-(benzenesulfonamido)-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylpropanoic acid Traditional Name: 3-[[3-(benzenesulfonamido)-3-keto-1-[2-(8-phenyloctyl)phenyl]propyl]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=C2C(CC(=O)NS(=O)(=O)C3=CC=CC=C3)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(CC(=O)NS(=O)(=O)C3=CC=CC=C3)SCCC(=O)O

InChI

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