3-(2-dodecylphenyl)-3-[1-oxidanylidene-1-(phenylsulfonylamino)propan-2-yl]sulfanyl-propanoic acid

Systemtic Name: 3-(2-dodecylphenyl)-3-[1-oxidanylidene-1-(phenylsulfonylamino)propan-2-yl]sulfanyl-propanoic acid Openeye Name: 3-[2-(benzenesulfonamido)-1-methyl-2-oxo-ethyl]sulfanyl-3-(2-dodecylphenyl)propanoic acid CAS Name: 3-[[1-(benzenesulfonamido)-1-oxopropan-2-yl]thio]-3-(2-dodecylphenyl)propanoic acid IUPAC Name: 3-[1-(benzenesulfonamido)-1-oxopropan-2-yl]sulfanyl-3-(2-dodecylphenyl)propanoic acid Traditional Name: 3-[[2-(benzenesulfonamido)-2-keto-1-methyl-ethyl]thio]-3-(2-laurylphenyl)propionic acid Formula: C30H43NO5S2 MolecularWeight: 561.79612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(CC(=O)O)SC(C)C(=O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(CC(=O)O)SC(C)C(=O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C30H43NO5S2/c1-3-4-5-6-7-8-9-10-11-13-18-25-19-16-17-22-27(25)28(23-29(32)33)37-24(2)30(34)31-38(35,36)26-20-14-12-15-21-26/h12,14-17,19-22,24,28H,3-11,13,18,23H2,1-2H3,(H,31,34)(H,32,33)