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

Systemtic Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-pyridin-3-ylprop-1-ynyl)pyridine-4-carboxamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-(3-pyridyl)prop-1-ynyl]pyridine-4-carboxamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-(3-pyridinyl)prop-1-ynyl]-4-pyridinecarboxamide IUPAC Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-pyridin-3-ylprop-1-ynyl)pyridine-4-carboxamide Traditional Name: N-(4-mesylbenzyl)-3-[3-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-29(27,28)20-9-7-18(8-10-20)15-25-22(26)21-11-13-24-16-19(21)6-2-4-17-5-3-12-23-14-17/h3,5,7-14,16H,4,15H2,1H3,(H,25,26)