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

Systemtic Name: 3-[3-(4-methylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-(p-tolyl)prop-1-ynyl]pyridine-4-carboxamide CAS Name: 3-[3-(4-methylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]-4-pyridinecarboxamide IUPAC Name: 3-[3-(4-methylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Traditional Name: N-(4-mesylbenzyl)-3-[3-(p-tolyl)prop-1-ynyl]isonicotinamide Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC#CC2=C(C=CN=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC#CC2=C(C=CN=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H22N2O3S/c1-18-6-8-19(9-7-18)4-3-5-21-17-25-15-14-23(21)24(27)26-16-20-10-12-22(13-11-20)30(2,28)29/h6-15,17H,4,16H2,1-2H3,(H,26,27)