3-(3-fluoranyl-3-phenyl-prop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide

Systemtic Name: 3-(3-fluoranyl-3-phenyl-prop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Openeye Name: 3-(3-fluoro-3-phenyl-prop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide CAS Name: 3-(3-fluoro-3-phenylprop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]-4-pyridinecarboxamide IUPAC Name: 3-(3-fluoro-3-phenylprop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Traditional Name: 3-(3-fluoro-3-phenyl-prop-1-ynyl)-N-(4-mesylbenzyl)isonicotinamide Formula: C23H19FN2O3S MolecularWeight: 422.471963

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C=NC=C2)C#CC(C3=CC=CC=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C=NC=C2)C#CC(C3=CC=CC=C3)F

InChI

InChI=1S/C23H19FN2O3S/c1-30(28,29)20-10-7-17(8-11-20)15-26-23(27)21-13-14-25-16-19(21)9-12-22(24)18-5-3-2-4-6-18/h2-8,10-11,13-14,16,22H,15H2,1H3,(H,26,27)