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

Systemtic Name: 3-(2-dodecylphenyl)-2-methyl-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)-2-methyl-propanoic acid CAS Name: 3-[[1-(benzenesulfonamido)-1-oxopropan-2-yl]thio]-3-(2-dodecylphenyl)-2-methylpropanoic acid IUPAC Name: 3-[1-(benzenesulfonamido)-1-oxopropan-2-yl]sulfanyl-3-(2-dodecylphenyl)-2-methylpropanoic acid Traditional Name: 3-[[2-(benzenesulfonamido)-2-keto-1-methyl-ethyl]thio]-3-(2-laurylphenyl)-2-methyl-propionic acid Formula: C31H45NO5S2 MolecularWeight: 575.8227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO5S2/c1-4-5-6-7-8-9-10-11-12-14-19-26-20-17-18-23-28(26)29(24(2)31(34)35)38-25(3)30(33)32-39(36,37)27-21-15-13-16-22-27/h13,15-18,20-25,29H,4-12,14,19H2,1-3H3,(H,32,33)(H,34,35)