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

Systemtic Name: 2-[[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-ylsulfonyl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(4-hydroxy-3-isopropylsulfonyl-phenoxy)-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-(4-hydroxy-3-propan-2-ylsulfonylphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-(4-hydroxy-3-propan-2-ylsulfonylphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-(4-hydroxy-3-isopropylsulfonyl-phenoxy)-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO7S/c1-10(2)28(25,26)16-9-14(5-6-15(16)21)27-17-11(3)7-13(8-12(17)4)20-18(22)19(23)24/h5-10,21H,1-4H3,(H,20,22)(H,23,24)