4-[4-[5,5-dimethyl-1-(phenylsulfonylamino)hexyl]phenyl]butanoic acid

Systemtic Name: 4-[4-[5,5-dimethyl-1-(phenylsulfonylamino)hexyl]phenyl]butanoic acid Openeye Name: 4-[4-[1-(benzenesulfonamido)-5,5-dimethyl-hexyl]phenyl]butanoic acid CAS Name: 4-[4-[1-(benzenesulfonamido)-5,5-dimethylhexyl]phenyl]butanoic acid IUPAC Name: 4-[4-[1-(benzenesulfonamido)-5,5-dimethylhexyl]phenyl]butanoic acid Traditional Name: 4-[4-[1-(benzenesulfonamido)-5,5-dimethyl-hexyl]phenyl]butyric acid Formula: C24H33NO4S MolecularWeight: 431.58812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCC(C1=CC=C(C=C1)CCCC(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CCCC(C1=CC=C(C=C1)CCCC(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H33NO4S/c1-24(2,3)18-8-12-22(25-30(28,29)21-10-5-4-6-11-21)20-16-14-19(15-17-20)9-7-13-23(26)27/h4-6,10-11,14-17,22,25H,7-9,12-13,18H2,1-3H3,(H,26,27)