2-[3-(3-fluorophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide

Systemtic Name: 2-[3-(3-fluorophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Openeye Name: 2-[3-(3-fluorophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide CAS Name: 2-[3-(3-fluorophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]-4-pyridinecarboxamide IUPAC Name: 2-[3-(3-fluorophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Traditional Name: 2-[3-(3-fluorophenyl)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=CC(=NC=C2)C#CCC3=CC(=CC=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=C2)C#CCC3=CC(=CC=C3)F

InChI

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