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X42

Summary
Name:4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
Formula:C16 H13 F N4 O3 S2
Formal charge:0
Formula weight:392.428 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
OpenEye OEToolkits1.7.04-[[4-azanyl-5-(3-fluorophenyl)carbonyl-1,3-thiazol-2-yl]amino]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cccc(c1)C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N
SMILES_CANONICALCACTVS3.370Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3cccc(F)c3
SMILESCACTVS3.370Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3cccc(F)c3
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(cc(c1)F)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
SMILESOpenEye OEToolkits1.7.0c1cc(cc(c1)F)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N
InChIInChI1.03InChI=1S/C16H13FN4O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,18H2,(H,20,21)(H2,19,23,24)
InChIKeyInChI1.03CJQHODVHGDYGJK-UHFFFAOYSA-N

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건을2024-07-10부터공개중

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