5-[2-(12-methylsulfonyldodecanoylamino)phenyl]sulfanylpentanoic acid

Systemtic Name: 5-[2-(12-methylsulfonyldodecanoylamino)phenyl]sulfanylpentanoic acid Openeye Name: 5-[2-(12-methylsulfonyldodecanoylamino)phenyl]sulfanylpentanoic acid CAS Name: 5-[[2-[(12-methylsulfonyl-1-oxododecyl)amino]phenyl]thio]pentanoic acid IUPAC Name: 5-[2-(12-methylsulfonyldodecanoylamino)phenyl]sulfanylpentanoic acid Traditional Name: 5-[[2-(12-mesyldodecanoylamino)phenyl]thio]valeric acid Formula: C24H39NO5S2 MolecularWeight: 485.70016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)CCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCCC(=O)O

InChI

InChI=1S/C24H39NO5S2/c1-32(29,30)20-14-8-6-4-2-3-5-7-9-17-23(26)25-21-15-10-11-16-22(21)31-19-13-12-18-24(27)28/h10-11,15-16H,2-9,12-14,17-20H2,1H3,(H,25,26)(H,27,28)