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PYV

Summary
Name:4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
Synonyms:Pyrabactin
Formula:C16 H13 Br N2 O2 S
Formal charge:0
Formula weight:377.256 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
OpenEye OEToolkits1.7.04-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc2c1c(cccc1)c(cc2)S(=O)(=O)NCc3ncccc3
SMILES_CANONICALCACTVS3.370Brc1ccc(c2ccccc12)[S](=O)(=O)NCc3ccccn3
SMILESCACTVS3.370Brc1ccc(c2ccccc12)[S](=O)(=O)NCc3ccccn3
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3
InChIInChI1.03InChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2
InChIKeyInChI1.03GJSDYQXOSHKOGX-UHFFFAOYSA-N

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PDB entries from 2024-07-24

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