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

Systemtic Name: 2-[[4-[3-(cyclobutylmethylsulfonyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCC3)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCC3)C)NC(=O)C(=O)O

InChI

InChI=1S/C21H23NO7S/c1-12-8-15(22-20(24)21(25)26)9-13(2)19(12)29-16-6-7-17(23)18(10-16)30(27,28)11-14-4-3-5-14/h6-10,14,23H,3-5,11H2,1-2H3,(H,22,24)(H,25,26)