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21M

Summary
Name:N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide
Formula:C15 H20 Cl2 N2 O4 S
Formal charge:0
Formula weight:395.301 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide
OpenEye OEToolkits1.7.6N-[1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]piperidin-4-yl]ethanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1CCC(NS(=O)(=O)CC)CC1)COc2ccc(Cl)cc2Cl
InChIInChI1.03InChI=1S/C15H20Cl2N2O4S/c1-2-24(21,22)18-12-5-7-19(8-6-12)15(20)10-23-14-4-3-11(16)9-13(14)17/h3-4,9,12,18H,2,5-8,10H2,1H3
InChIKeyInChI1.03XSFRSTBQVCUTJX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[S](=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl
SMILESCACTVS3.385CC[S](=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl
SMILES_CANONICALOpenEye OEToolkits1.7.6CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl
SMILESOpenEye OEToolkits1.7.6CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl

221716

PDB entries from 2024-06-26

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