2-[[3,5-dimethyl-4-[4-oxidanyl-3-(pyridin-3-ylsulfonylamino)phenoxy]phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3,5-dimethyl-4-[4-oxidanyl-3-(pyridin-3-ylsulfonylamino)phenoxy]phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[4-hydroxy-3-(3-pyridylsulfonylamino)phenoxy]-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[4-hydroxy-3-(3-pyridinylsulfonylamino)phenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-[4-hydroxy-3-(pyridin-3-ylsulfonylamino)phenoxy]-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-[4-hydroxy-3-(3-pyridylsulfonylamino)phenoxy]-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)NS(=O)(=O)C3=CN=CC=C3)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)NS(=O)(=O)C3=CN=CC=C3)C)NC(=O)C(=O)O

InChI

InChI=1S/C21H19N3O7S/c1-12-8-14(23-20(26)21(27)28)9-13(2)19(12)31-15-5-6-18(25)17(10-15)24-32(29,30)16-4-3-7-22-11-16/h3-11,24-25H,1-2H3,(H,23,26)(H,27,28)