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

Systemtic Name: 2-[[4-[3-(cyclopropylsulfonylamino)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(cyclopropylsulfonylamino)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[3-(cyclopropylsulfonylamino)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(cyclopropylsulfonylamino)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-[3-(cyclopropylsulfonylamino)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)NS(=O)(=O)C3CC3)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)NS(=O)(=O)C3CC3)C)NC(=O)C(=O)O

InChI

InChI=1S/C19H20N2O7S/c1-10-7-12(20-18(23)19(24)25)8-11(2)17(10)28-13-3-6-16(22)15(9-13)21-29(26,27)14-4-5-14/h3,6-9,14,21-22H,4-5H2,1-2H3,(H,20,23)(H,24,25)