4-[[4-[4-(4-fluorophenyl)sulfonyl-3-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[4-(4-fluorophenyl)sulfonyl-3-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-(4-fluorophenyl)sulfonyl-3-hydroxy-phenoxy]-3,5-dimethyl-anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[4-(4-fluorophenyl)sulfonyl-3-hydroxyphenoxy]-3,5-dimethylanilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-(4-fluorophenyl)sulfonyl-3-hydroxyphenoxy]-3,5-dimethylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[4-(4-fluorophenyl)sulfonyl-3-hydroxy-phenoxy]-3,5-dimethyl-anilino]-4-keto-butyric acid Formula: C24H22FNO7S MolecularWeight: 487.497383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)F)O)C)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)F)O)C)NC(=O)CCC(=O)O

InChI

InChI=1S/C24H22FNO7S/c1-14-11-17(26-22(28)9-10-23(29)30)12-15(2)24(14)33-18-5-8-21(20(27)13-18)34(31,32)19-6-3-16(25)4-7-19/h3-8,11-13,27H,9-10H2,1-2H3,(H,26,28)(H,29,30)