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

Systemtic Name: 2-[[4-(3-butylsulfonyl-4-oxidanyl-phenoxy)-3,5-dimethyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(3-butylsulfonyl-4-hydroxy-phenoxy)-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-(3-butylsulfonyl-4-hydroxyphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-(3-butylsulfonyl-4-hydroxyphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-(3-butylsulfonyl-4-hydroxy-phenoxy)-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2C)NC(=O)C(=O)O)C)O

Isomeric SMILES

CCCCS(=O)(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2C)NC(=O)C(=O)O)C)O

InChI

InChI=1S/C20H23NO7S/c1-4-5-8-29(26,27)17-11-15(6-7-16(17)22)28-18-12(2)9-14(10-13(18)3)21-19(23)20(24)25/h6-7,9-11,22H,4-5,8H2,1-3H3,(H,21,23)(H,24,25)