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

Systemtic Name: 2-[[4-[3-(cyclohexylmethylsulfonyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(cyclohexylmethylsulfonyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[3-(cyclohexylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(cyclohexylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-[3-(cyclohexylmethylsulfonyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCCCC3)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCCCC3)C)NC(=O)C(=O)O

InChI

InChI=1S/C23H27NO7S/c1-14-10-17(24-22(26)23(27)28)11-15(2)21(14)31-18-8-9-19(25)20(12-18)32(29,30)13-16-6-4-3-5-7-16/h8-12,16,25H,3-7,13H2,1-2H3,(H,24,26)(H,27,28)