4-[bis(fluoranyl)methylsulfonyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfonyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 4-(difluoromethylsulfonyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 4-(difluoromethylsulfonyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 4-(difluoromethylsulfonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 4-(difluoromethylsulfonyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C21H14F2N2O3S MolecularWeight: 412.409266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

InChI

InChI=1S/C21H14F2N2O3S/c22-21(23)29(27,28)19-11-8-16(9-12-19)20(26)25-18-6-3-4-15(14-18)7-10-17-5-1-2-13-24-17/h1-6,8-9,11-14,21H,(H,25,26)