N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H22N4O3S/c29-24(20-11-15-28(16-12-20)32(30,31)23-8-4-13-25-18-23)27-22-7-3-5-19(17-22)9-10-21-6-1-2-14-26-21/h1-8,13-14,17-18,20H,11-12,15-16H2,(H,27,29)