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

Systemtic Name: 2-[[4-[3-(tert-butylsulfonylamino)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(tert-butylsulfonylamino)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[3-(tert-butylsulfonylamino)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(tert-butylsulfonylamino)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-[3-(tert-butylsulfonylamino)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O7S/c1-11-8-13(21-18(24)19(25)26)9-12(2)17(11)29-14-6-7-16(23)15(10-14)22-30(27,28)20(3,4)5/h6-10,22-23H,1-5H3,(H,21,24)(H,25,26)