3-[[4-(3-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-(3-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(4-hydroxy-3-methylsulfonyl-phenoxy)anilino]-3-oxo-propanoic acid CAS Name: 3-[4-(4-hydroxy-3-methylsulfonylphenoxy)anilino]-3-oxopropanoic acid IUPAC Name: 3-[4-(4-hydroxy-3-methylsulfonylphenoxy)anilino]-3-oxopropanoic acid Traditional Name: 3-[4-(4-hydroxy-3-mesyl-phenoxy)anilino]-3-keto-propionic acid Formula: C16H15NO7S MolecularWeight: 365.3578

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)OC2=CC=C(C=C2)NC(=O)CC(=O)O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)OC2=CC=C(C=C2)NC(=O)CC(=O)O)O

InChI

InChI=1S/C16H15NO7S/c1-25(22,23)14-8-12(6-7-13(14)18)24-11-4-2-10(3-5-11)17-15(19)9-16(20)21/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)