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A1BH8

Summary
Name:4-({(ethanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)-N-hydroxybenzamide
Formula:C16 H19 N3 O4 S
Formal charge:0
Formula weight:349.405 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.524-({(ethanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)-N-hydroxybenzamide
OpenEye OEToolkits3.1.0.04-[[ethylsulfonyl(pyridin-3-ylmethyl)amino]methyl]-~{N}-oxidanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(=O)(=O)CC
InChIInChI1.06InChI=1S/C16H19N3O4S/c1-2-24(22,23)19(12-14-4-3-9-17-10-14)11-13-5-7-15(8-6-13)16(20)18-21/h3-10,21H,2,11-12H2,1H3,(H,18,20)
InChIKeyInChI1.06GABRQLARJXNUJD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[S](=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2
SMILESCACTVS3.385CC[S](=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCS(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2
SMILESOpenEye OEToolkits3.1.0.0CCS(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2

247947

PDB entries from 2026-01-21

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