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A1BHX

Summary
Name:N-hydroxy-4-({(propane-2-sulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide
Formula:C17 H21 N3 O4 S
Formal charge:0
Formula weight:363.431 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-hydroxy-4-({(propane-2-sulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide
OpenEye OEToolkits3.1.0.0~{N}-oxidanyl-4-[[propan-2-ylsulfonyl(pyridin-3-ylmethyl)amino]methyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(=O)(=O)C(C)C
InChIInChI1.06InChI=1S/C17H21N3O4S/c1-13(2)25(23,24)20(12-15-4-3-9-18-10-15)11-14-5-7-16(8-6-14)17(21)19-22/h3-10,13,22H,11-12H2,1-2H3,(H,19,21)
InChIKeyInChI1.06OZRDXVNIVDGPHS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)[S](=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2
SMILESCACTVS3.385CC(C)[S](=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC(C)S(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2
SMILESOpenEye OEToolkits3.1.0.0CC(C)S(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2

248636

PDB entries from 2026-02-04

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