2,2-dimethyl-5-[4-[2-(phenylsulfonylamino)propyl]phenoxy]pentanoic acid

Systemtic Name: 2,2-dimethyl-5-[4-[2-(phenylsulfonylamino)propyl]phenoxy]pentanoic acid Openeye Name: 5-[4-[2-(benzenesulfonamido)propyl]phenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[4-[2-(benzenesulfonamido)propyl]phenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[4-[2-(benzenesulfonamido)propyl]phenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[4-[2-(benzenesulfonamido)propyl]phenoxy]-2,2-dimethyl-valeric acid Formula: C22H29NO5S MolecularWeight: 419.53436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCCCC(C)(C)C(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCCCC(C)(C)C(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H29NO5S/c1-17(23-29(26,27)20-8-5-4-6-9-20)16-18-10-12-19(13-11-18)28-15-7-14-22(2,3)21(24)25/h4-6,8-13,17,23H,7,14-16H2,1-3H3,(H,24,25)