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A1B51

Summary
Name:(3S)-1-[(2-ethenylphenyl)methanesulfonyl]piperidine-3-carboxamide
Formula:C15 H20 N2 O3 S
Formal charge:0
Formula weight:308.396 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2-ethenylphenyl)methanesulfonyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[(2-ethenylphenyl)methylsulfonyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=S(=O)(Cc1ccccc1C=C)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H20N2O3S/c1-2-12-6-3-4-7-14(12)11-21(19,20)17-9-5-8-13(10-17)15(16)18/h2-4,6-7,13H,1,5,8-11H2,(H2,16,18)/t13-/m0/s1
InChIKeyInChI1.06DIYJWUSVAMGGFW-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)[S](=O)(=O)Cc2ccccc2C=C
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)[S](=O)(=O)Cc2ccccc2C=C
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C=Cc1ccccc1CS(=O)(=O)N2CCC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0C=Cc1ccccc1CS(=O)(=O)N2CCCC(C2)C(=O)N

248636

PDB entries from 2026-02-04

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