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

Systemtic Name: 2-[[3-chloranyl-4-[3-(cyclopentylmethylsulfonyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-chloro-4-[3-(cyclopentylmethylsulfonyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-2-oxo-acetic acid CAS Name: 2-[3-chloro-4-[3-(cyclopentylmethylsulfonyl)-4-hydroxyphenoxy]-5-methylanilino]-2-oxoacetic acid IUPAC Name: 2-[3-chloro-4-[3-(cyclopentylmethylsulfonyl)-4-hydroxyphenoxy]-5-methylanilino]-2-oxoacetic acid Traditional Name: 2-[3-chloro-4-[3-(cyclopentylmethylsulfonyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-2-keto-acetic acid Formula: C21H22ClNO7S MolecularWeight: 467.91988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCCC3)Cl)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCCC3)Cl)NC(=O)C(=O)O

InChI

InChI=1S/C21H22ClNO7S/c1-12-8-14(23-20(25)21(26)27)9-16(22)19(12)30-15-6-7-17(24)18(10-15)31(28,29)11-13-4-2-3-5-13/h6-10,13,24H,2-5,11H2,1H3,(H,23,25)(H,26,27)