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

Systemtic Name: 2-[[4-[3-(cyclopropylmethylsulfonyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(cyclopropylmethylsulfonyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[3-(cyclopropylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(cyclopropylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-[3-(cyclopropylmethylsulfonyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CC3)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CC3)C)NC(=O)C(=O)O

InChI

InChI=1S/C20H21NO7S/c1-11-7-14(21-19(23)20(24)25)8-12(2)18(11)28-15-5-6-16(22)17(9-15)29(26,27)10-13-3-4-13/h5-9,13,22H,3-4,10H2,1-2H3,(H,21,23)(H,24,25)