2-[[3,5-dimethyl-4-[3-(4-methylphenyl)sulfonyl-4-oxidanyl-phenoxy]phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3,5-dimethyl-4-[3-(4-methylphenyl)sulfonyl-4-oxidanyl-phenoxy]phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[4-hydroxy-3-(p-tolylsulfonyl)phenoxy]-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[4-hydroxy-3-(4-methylphenyl)sulfonylphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-[4-hydroxy-3-(4-methylphenyl)sulfonylphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-(4-hydroxy-3-tosyl-phenoxy)-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C23H21NO7S MolecularWeight: 455.48034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3C)NC(=O)C(=O)O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3C)NC(=O)C(=O)O)C)O

InChI

InChI=1S/C23H21NO7S/c1-13-4-7-18(8-5-13)32(29,30)20-12-17(6-9-19(20)25)31-21-14(2)10-16(11-15(21)3)24-22(26)23(27)28/h4-12,25H,1-3H3,(H,24,26)(H,27,28)