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

Systemtic Name: 3-[[3-chloranyl-5-methyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-chloro-4-(4-hydroxy-2-methylsulfonyl-phenoxy)-5-methyl-anilino]-2-methyl-3-oxo-propanoic acid CAS Name: 3-[3-chloro-4-(4-hydroxy-2-methylsulfonylphenoxy)-5-methylanilino]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[3-chloro-4-(4-hydroxy-2-methylsulfonylphenoxy)-5-methylanilino]-2-methyl-3-oxopropanoic acid Traditional Name: 3-[3-chloro-4-(4-hydroxy-2-mesyl-phenoxy)-5-methyl-anilino]-3-keto-2-methyl-propionic acid Formula: C18H18ClNO7S MolecularWeight: 427.85602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO7S/c1-9-6-11(20-17(22)10(2)18(23)24)7-13(19)16(9)27-14-5-4-12(21)8-15(14)28(3,25)26/h4-8,10,21H,1-3H3,(H,20,22)(H,23,24)