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

Systemtic Name: 2-[[3,5-dimethyl-4-[4-oxidanyl-3-(phenylsulfonylamino)phenoxy]phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(benzenesulfonamido)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[3-(benzenesulfonamido)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(benzenesulfonamido)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-[3-(benzenesulfonamido)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7S/c1-13-10-15(23-21(26)22(27)28)11-14(2)20(13)31-16-8-9-19(25)18(12-16)24-32(29,30)17-6-4-3-5-7-17/h3-12,24-25H,1-2H3,(H,23,26)(H,27,28)