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7TN

Summary
Name:Iguratimod
Synonyms:T 614
T-614; T614; N-(7-(Methylsulfonamido)-4-oxo-6-phenoxy-4H-chromen-3-yl)formamide; Careram; Kolbet
Formula:C17 H14 N2 O6 S
Formal charge:0
Formula weight:374.368 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{7-[(methanesulfonyl)amino]-4-oxo-6-phenoxy-4H-1-benzopyran-3-yl}formamide
OpenEye OEToolkits2.0.7~{N}-[7-(methylsulfonylamino)-4-oxidanylidene-6-phenoxy-chromen-3-yl]methanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CS(=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc1ccccc1
InChIInChI1.06InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)
InChIKeyInChI1.06ANMATWQYLIFGOK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc3ccccc3
SMILESCACTVS3.385C[S](=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CS(=O)(=O)Nc1cc2c(cc1Oc3ccccc3)C(=O)C(=CO2)NC=O
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)Nc1cc2c(cc1Oc3ccccc3)C(=O)C(=CO2)NC=O

221051

PDB entries from 2024-06-12

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