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7X4

Summary
Name:3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide
Formula:C17 H14 Cl N5 O4 S
Formal charge:0
Formula weight:419.842 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide
OpenEye OEToolkits1.5.03-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(N)c1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34
SMILES_CANONICALCACTVS3.341N[S](=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1
SMILESCACTVS3.341N[S](=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)S(=O)(=O)N)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)S(=O)(=O)N)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl
InChIInChI1.03InChI=1S/C17H14ClN5O4S/c18-12-4-5-13-16(27-9-26-13)15(12)22-14-6-7-20-17(23-14)21-10-2-1-3-11(8-10)28(19,24)25/h1-8H,9H2,(H2,19,24,25)(H2,20,21,22,23)
InChIKeyInChI1.03TZHCXOMEOHEZDX-UHFFFAOYSA-N

223532

건을2024-08-07부터공개중

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