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21F

Summary
Name:N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Formula:C16 H23 Cl I N3 O4 S
Formal charge:0
Formula weight:515.794 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
OpenEye OEToolkits1.7.6N-[1-[2-[(4-chloranyl-5-iodanyl-2-methoxy-phenyl)amino]ethanoyl]piperidin-4-yl]ethanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(I)c(Cl)cc2OC
InChIInChI1.03InChI=1S/C16H23ClIN3O4S/c1-3-26(23,24)20-11-4-6-21(7-5-11)16(22)10-19-14-9-13(18)12(17)8-15(14)25-2/h8-9,11,19-20H,3-7,10H2,1-2H3
InChIKeyInChI1.03IECPGMHQJFPFAZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[S](=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(I)c(Cl)cc2OC
SMILESCACTVS3.385CC[S](=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(I)c(Cl)cc2OC
SMILES_CANONICALOpenEye OEToolkits1.7.6CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I
SMILESOpenEye OEToolkits1.7.6CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I

222624

PDB entries from 2024-07-17

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