3-[[3-chloranyl-4-[3-(cyclobutylsulfamoyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[3-chloranyl-4-[3-(cyclobutylsulfamoyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-chloro-4-[3-(cyclobutylsulfamoyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[3-chloro-4-[3-(cyclobutylsulfamoyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[3-chloro-4-[3-(cyclobutylsulfamoyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[3-chloro-4-[3-(cyclobutylsulfamoyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-keto-propionic acid Formula: C20H21ClN2O7S MolecularWeight: 468.90794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)NC3CCC3)Cl)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)NC3CCC3)Cl)NC(=O)CC(=O)O

InChI

InChI=1S/C20H21ClN2O7S/c1-11-7-13(22-18(25)10-19(26)27)8-15(21)20(11)30-14-5-6-16(24)17(9-14)31(28,29)23-12-3-2-4-12/h5-9,12,23-24H,2-4,10H2,1H3,(H,22,25)(H,26,27)