sodium 2,2-dimethyl-5-[4-[2-(phenylsulfonylamino)propyl]phenoxy]pentanoate

Systemtic Name: sodium 2,2-dimethyl-5-[4-[2-(phenylsulfonylamino)propyl]phenoxy]pentanoate Openeye Name: sodium 5-[4-[2-(benzenesulfonamido)propyl]phenoxy]-2,2-dimethyl-pentanoate CAS Name: sodium 5-[4-[2-(benzenesulfonamido)propyl]phenoxy]-2,2-dimethylpentanoate IUPAC Name: sodium 5-[4-[2-(benzenesulfonamido)propyl]phenoxy]-2,2-dimethylpentanoate Traditional Name: sodium 5-[4-[2-(benzenesulfonamido)propyl]phenoxy]-2,2-dimethyl-valerate Formula: C22H28NNaO5S MolecularWeight: 441.51619

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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.[Na+]

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCCCC(C)(C)C(=O)[O-])NS(=O)(=O)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C22H29NO5S.Na/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);/q;+1/p-1