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FGE

Summary
Name:~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
Formula:C14 H12 N4 O4 S2
Formal charge:0
Formula weight:364.399 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H12N4O4S2/c1-6-12(23-14(17-6)18-7(2)19)8-3-9-5-16-13(20)11(9)10(4-8)24(15,21)22/h3-5H,1-2H3,(H2,15,21,22)(H,17,18,19)
InChIKeyInChI1.03LTKQWKJDTSYBED-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1sc(c(C)n1)c2cc3C=NC(=O)c3c(c2)[S](N)(=O)=O
SMILESCACTVS3.385CC(=O)Nc1sc(c(C)n1)c2cc3C=NC(=O)c3c(c2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)N)C(=O)N=C3
SMILESOpenEye OEToolkits2.0.6Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)N)C(=O)N=C3

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PDB entries from 2024-04-24

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