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

Systemtic Name: cyclopropane; 2-[[3,5-dimethyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: cyclopropane; 2-[4-(4-hydroxy-2-methylsulfonyl-phenoxy)-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: cyclopropane; 2-[4-(4-hydroxy-2-methylsulfonylphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: cyclopropane; 2-[4-(4-hydroxy-2-methylsulfonylphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: cyclopropane; 2-[4-(4-hydroxy-2-mesyl-phenoxy)-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C20H23NO7S MolecularWeight: 421.46412

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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(=O)O.C1CC1

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C=C(C=C2)O)S(=O)(=O)C)C)NC(=O)C(=O)O.C1CC1

InChI

InChI=1S/C17H17NO7S.C3H6/c1-9-6-11(18-16(20)17(21)22)7-10(2)15(9)25-13-5-4-12(19)8-14(13)26(3,23)24;1-2-3-1/h4-8,19H,1-3H3,(H,18,20)(H,21,22);1-3H2