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64D

Summary
Name:4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid
Formula:C13 H17 Cl N2 O4 S
Formal charge:0
Formula weight:332.803 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid
OpenEye OEToolkits1.7.64-[[(4-chlorophenyl)sulfonylamino]methyl]piperidine-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1)S(=O)(=O)NCC2CCN(C(=O)O)CC2
InChIInChI1.03InChI=1S/C13H17ClN2O4S/c14-11-1-3-12(4-2-11)21(19,20)15-9-10-5-7-16(8-6-10)13(17)18/h1-4,10,15H,5-9H2,(H,17,18)
InChIKeyInChI1.03CFNWARLITZSZQR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)N1CCC(CC1)CN[S](=O)(=O)c2ccc(Cl)cc2
SMILESCACTVS3.385OC(=O)N1CCC(CC1)CN[S](=O)(=O)c2ccc(Cl)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1S(=O)(=O)NCC2CCN(CC2)C(=O)O)Cl
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1S(=O)(=O)NCC2CCN(CC2)C(=O)O)Cl

219140

PDB entries from 2024-05-01

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