3-[[3,5-dimethyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[3,5-dimethyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(4-hydroxy-2-methylsulfonyl-phenoxy)-3,5-dimethyl-anilino]-2-methyl-3-oxo-propanoic acid CAS Name: 3-[4-(4-hydroxy-2-methylsulfonylphenoxy)-3,5-dimethylanilino]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[4-(4-hydroxy-2-methylsulfonylphenoxy)-3,5-dimethylanilino]-2-methyl-3-oxopropanoic acid Traditional Name: 3-[4-(4-hydroxy-2-mesyl-phenoxy)-3,5-dimethyl-anilino]-3-keto-2-methyl-propionic acid Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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