5-[2,5-dimethyl-4-[(phenylmethyl)sulfonylamino]phenoxy]-2,2-dimethyl-pentanoic acid

Systemtic Name: 5-[2,5-dimethyl-4-[(phenylmethyl)sulfonylamino]phenoxy]-2,2-dimethyl-pentanoic acid Openeye Name: 5-[4-(benzylsulfonylamino)-2,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[2,5-dimethyl-4-[(phenylmethyl)sulfonylamino]phenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[4-(benzylsulfonylamino)-2,5-dimethylphenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[4-(benzylsulfonylamino)-2,5-dimethyl-phenoxy]-2,2-dimethyl-valeric acid Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCCCC(C)(C)C(=O)O)C)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1OCCCC(C)(C)C(=O)O)C)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H29NO5S/c1-16-14-20(28-12-8-11-22(3,4)21(24)25)17(2)13-19(16)23-29(26,27)15-18-9-6-5-7-10-18/h5-7,9-10,13-14,23H,8,11-12,15H2,1-4H3,(H,24,25)