2-(2-dodecylphenyl)-2-[1-oxidanylidene-1-(phenylsulfonylamino)butan-2-yl]sulfanyl-ethanoic acid

Systemtic Name: 2-(2-dodecylphenyl)-2-[1-oxidanylidene-1-(phenylsulfonylamino)butan-2-yl]sulfanyl-ethanoic acid Openeye Name: 2-[1-(benzenesulfonylcarbamoyl)propylsulfanyl]-2-(2-dodecylphenyl)acetic acid CAS Name: 2-[[1-(benzenesulfonamido)-1-oxobutan-2-yl]thio]-2-(2-dodecylphenyl)acetic acid IUPAC Name: 2-[1-(benzenesulfonamido)-1-oxobutan-2-yl]sulfanyl-2-(2-dodecylphenyl)acetic acid Traditional Name: 2-[1-(besylcarbamoyl)propylthio]-2-(2-laurylphenyl)acetic acid Formula: C30H43NO5S2 MolecularWeight: 561.79612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO5S2/c1-3-5-6-7-8-9-10-11-12-14-19-24-20-17-18-23-26(24)28(30(33)34)37-27(4-2)29(32)31-38(35,36)25-21-15-13-16-22-25/h13,15-18,20-23,27-28H,3-12,14,19H2,1-2H3,(H,31,32)(H,33,34)