(2Z)-2-[[4-(tert-butylsulfamoyl)phenyl]-pyridin-3-yl-methylidene]-4-oxidanyl-butanoate

Systemtic Name: (2Z)-2-[[4-(tert-butylsulfamoyl)phenyl]-pyridin-3-yl-methylidene]-4-oxidanyl-butanoate Openeye Name: (2Z)-2-[[4-(tert-butylsulfamoyl)phenyl]-(3-pyridyl)methylene]-4-hydroxy-butanoate CAS Name: (2Z)-2-[[4-(tert-butylsulfamoyl)phenyl]-(3-pyridinyl)methylidene]-4-hydroxybutanoate IUPAC Name: (2Z)-2-[[4-(tert-butylsulfamoyl)phenyl]-pyridin-3-ylmethylidene]-4-hydroxybutanoate Traditional Name: (Z)-3-[4-(tert-butylsulfamoyl)phenyl]-2-(2-hydroxyethyl)-3-(3-pyridyl)acrylate Formula: C20H23N2O5S- MolecularWeight: 403.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=C(CCO)C(=O)[O-])C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)/C(=C(\CCO)/C(=O)[O-])/C2=CN=CC=C2

InChI

InChI=1S/C20H24N2O5S/c1-20(2,3)22-28(26,27)16-8-6-14(7-9-16)18(15-5-4-11-21-13-15)17(10-12-23)19(24)25/h4-9,11,13,22-23H,10,12H2,1-3H3,(H,24,25)/p-1/b18-17-