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A1BP9

Summary
Name:(3S)-1-[(2,1,3-benzothiadiazol-4-yl)acetyl]piperidine-3-carboxamide
Formula:C14 H16 N4 O2 S
Formal charge:0
Formula weight:304.367 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2,1,3-benzothiadiazol-4-yl)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(2,1,3-benzothiadiazol-4-yl)ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCCN(C1)C(=O)Cc1cccc2nsnc12
InChIInChI1.06InChI=1S/C14H16N4O2S/c15-14(20)10-4-2-6-18(8-10)12(19)7-9-3-1-5-11-13(9)17-21-16-11/h1,3,5,10H,2,4,6-8H2,(H2,15,20)/t10-/m0/s1
InChIKeyInChI1.06MSPQKNPSTZGBCJ-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccc3nsnc23
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc3nsnc23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)nsn2)CC(=O)N3CCC[C@@H](C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)nsn2)CC(=O)N3CCCC(C3)C(=O)N

248636

PDB entries from 2026-02-04

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