4-fluoranyl-3-piperidin-1-ylsulfonyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 4-fluoranyl-3-piperidin-1-ylsulfonyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 4-fluoro-3-(1-piperidylsulfonyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 4-fluoro-3-piperidin-1-ylsulfonyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 4-fluoro-3-piperidinosulfonyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)F

InChI

InChI=1S/C25H22FN3O3S/c26-23-13-11-20(18-24(23)33(31,32)29-15-4-1-5-16-29)25(30)28-22-9-6-7-19(17-22)10-12-21-8-2-3-14-27-21/h2-3,6-9,11,13-14,17-18H,1,4-5,15-16H2,(H,28,30)