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

Systemtic Name: 3-[[3,5-dimethyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(4-hydroxy-2-methylsulfonyl-phenoxy)-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-(4-hydroxy-2-methylsulfonylphenoxy)-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-(4-hydroxy-2-methylsulfonylphenoxy)-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-(4-hydroxy-2-mesyl-phenoxy)-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C18H19NO7S MolecularWeight: 393.41096

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO7S/c1-10-6-12(19-16(21)9-17(22)23)7-11(2)18(10)26-14-5-4-13(20)8-15(14)27(3,24)25/h4-8,20H,9H2,1-3H3,(H,19,21)(H,22,23)