3-[[3,5-dimethyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]-propan-2-yl-amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[3,5-dimethyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]-propan-2-yl-amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(4-hydroxy-2-methylsulfonyl-phenoxy)-N-isopropyl-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-(4-hydroxy-2-methylsulfonylphenoxy)-3,5-dimethyl-N-propan-2-ylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-(4-hydroxy-2-methylsulfonylphenoxy)-3,5-dimethyl-N-propan-2-ylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-(4-hydroxy-2-mesyl-phenoxy)-N-isopropyl-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C=C(C=C2)O)S(=O)(=O)C)C)N(C(C)C)C(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C=C(C=C2)O)S(=O)(=O)C)C)N(C(C)C)C(=O)CC(=O)O

InChI

InChI=1S/C21H25NO7S/c1-12(2)22(19(24)11-20(25)26)15-8-13(3)21(14(4)9-15)29-17-7-6-16(23)10-18(17)30(5,27)28/h6-10,12,23H,11H2,1-5H3,(H,25,26)