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854

Summary
Name:ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate
Formula:C15 H21 N O4 S
Formal charge:0
Formula weight:311.397 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate
OpenEye OEToolkits1.7.6ethyl (2S)-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N1C(C(=O)OCC)CCCC1)Cc2ccccc2
InChIInChI1.03InChI=1S/C15H21NO4S/c1-2-20-15(17)14-10-6-7-11-16(14)21(18,19)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3/t14-/m0/s1
InChIKeyInChI1.03LVCFWVYKKRGZFQ-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.370CCOC(=O)[C@@H]1CCCCN1[S](=O)(=O)Cc2ccccc2
SMILESCACTVS3.370CCOC(=O)[CH]1CCCCN1[S](=O)(=O)Cc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.6CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc2ccccc2
SMILESOpenEye OEToolkits1.7.6CCOC(=O)C1CCCCN1S(=O)(=O)Cc2ccccc2

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PDB entries from 2024-07-24

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