N-[(4-methylsulfonylphenyl)methyl]-3-(3-pyridin-4-ylprop-1-ynyl)pyridine-4-carboxamide

Systemtic Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-pyridin-4-ylprop-1-ynyl)pyridine-4-carboxamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-(4-pyridyl)prop-1-ynyl]pyridine-4-carboxamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-pyridin-4-ylprop-1-ynyl)-4-pyridinecarboxamide IUPAC Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-pyridin-4-ylprop-1-ynyl)pyridine-4-carboxamide Traditional Name: N-(4-mesylbenzyl)-3-[3-(4-pyridyl)prop-1-ynyl]isonicotinamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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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#CCC3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-29(27,28)20-7-5-18(6-8-20)15-25-22(26)21-11-14-24-16-19(21)4-2-3-17-9-12-23-13-10-17/h5-14,16H,3,15H2,1H3,(H,25,26)