2-[[4-[3-(2,2-dimethylpropylsulfonylamino)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-[3-(2,2-dimethylpropylsulfonylamino)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(2,2-dimethylpropylsulfonylamino)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[3-(2,2-dimethylpropylsulfonylamino)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(2,2-dimethylpropylsulfonylamino)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-[4-hydroxy-3-(neopentylsulfonylamino)phenoxy]-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)NS(=O)(=O)CC(C)(C)C)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)NS(=O)(=O)CC(C)(C)C)C)NC(=O)C(=O)O

InChI

InChI=1S/C21H26N2O7S/c1-12-8-14(22-19(25)20(26)27)9-13(2)18(12)30-15-6-7-17(24)16(10-15)23-31(28,29)11-21(3,4)5/h6-10,23-24H,11H2,1-5H3,(H,22,25)(H,26,27)