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

Systemtic Name: 2-[[3-chloranyl-4-[3-(2-hydroxyethylsulfamoyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-chloro-4-[4-hydroxy-3-(2-hydroxyethylsulfamoyl)phenoxy]-5-methyl-anilino]-2-oxo-acetic acid CAS Name: 2-[3-chloro-4-[4-hydroxy-3-(2-hydroxyethylsulfamoyl)phenoxy]-5-methylanilino]-2-oxoacetic acid IUPAC Name: 2-[3-chloro-4-[4-hydroxy-3-(2-hydroxyethylsulfamoyl)phenoxy]-5-methylanilino]-2-oxoacetic acid Traditional Name: 2-[3-chloro-4-[4-hydroxy-3-(2-hydroxyethylsulfamoyl)phenoxy]-5-methyl-anilino]-2-keto-acetic acid Formula: C17H17ClN2O8S MolecularWeight: 444.84348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O8S/c1-9-6-10(20-16(23)17(24)25)7-12(18)15(9)28-11-2-3-13(22)14(8-11)29(26,27)19-4-5-21/h2-3,6-8,19,21-22H,4-5H2,1H3,(H,20,23)(H,24,25)