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IE2

Summary
Name:4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide
Formula:C16 H14 N4 O2 S2
Formal charge:0
Formula weight:358.438 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c4ccc(n3ncc2c3c1c(nc(cc1)C)SC2)cc4
SMILES_CANONICALCACTVS3.370Cc1ccc2c(SCc3cnn(c4ccc(cc4)[S](N)(=O)=O)c23)n1
SMILESCACTVS3.370Cc1ccc2c(SCc3cnn(c4ccc(cc4)[S](N)(=O)=O)c23)n1
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1ccc-2c(n1)SCc3c2n(nc3)c4ccc(cc4)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.0Cc1ccc-2c(n1)SCc3c2n(nc3)c4ccc(cc4)S(=O)(=O)N
InChIInChI1.03InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
InChIKeyInChI1.03BBYVQBNYXZIDGW-UHFFFAOYSA-N

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PDB entries from 2024-07-10

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