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

Systemtic Name: 2-[[3-chloranyl-4-[3-(cyclobutylmethylsulfonyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-chloro-4-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-2-oxo-acetic acid CAS Name: 2-[3-chloro-4-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-5-methylanilino]-2-oxoacetic acid IUPAC Name: 2-[3-chloro-4-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-5-methylanilino]-2-oxoacetic acid Traditional Name: 2-[3-chloro-4-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-2-keto-acetic acid Formula: C20H20ClNO7S MolecularWeight: 453.8933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO7S/c1-11-7-13(22-19(24)20(25)26)8-15(21)18(11)29-14-5-6-16(23)17(9-14)30(27,28)10-12-3-2-4-12/h5-9,12,23H,2-4,10H2,1H3,(H,22,24)(H,25,26)