2-[[4-[3-(4-fluorophenyl)sulfonyl-4-oxidanyl-phenoxy]-3-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-[3-(4-fluorophenyl)sulfonyl-4-oxidanyl-phenoxy]-3-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-3-methyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-3-methylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-3-methylanilino]-2-oxoacetic acid Traditional Name: 2-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-3-methyl-anilino]-2-keto-acetic acid Formula: C21H16FNO7S MolecularWeight: 445.417643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(=O)O)OC2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(=O)O)OC2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H16FNO7S/c1-12-10-14(23-20(25)21(26)27)4-9-18(12)30-15-5-8-17(24)19(11-15)31(28,29)16-6-2-13(22)3-7-16/h2-11,24H,1H3,(H,23,25)(H,26,27)