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

Systemtic Name: 3-[[3-methyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(4-hydroxy-2-methylsulfonyl-phenoxy)-3-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-(4-hydroxy-2-methylsulfonylphenoxy)-3-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-(4-hydroxy-2-methylsulfonylphenoxy)-3-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-(4-hydroxy-2-mesyl-phenoxy)-3-methyl-anilino]-3-keto-propionic acid Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC(=O)O)OC2=C(C=C(C=C2)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC(=O)O)OC2=C(C=C(C=C2)O)S(=O)(=O)C

InChI

InChI=1S/C17H17NO7S/c1-10-7-11(18-16(20)9-17(21)22)3-5-13(10)25-14-6-4-12(19)8-15(14)26(2,23)24/h3-8,19H,9H2,1-2H3,(H,18,20)(H,21,22)