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

Systemtic Name: 2-[3-(3-methylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-2-[3-(m-tolyl)prop-1-ynyl]pyridine-4-carboxamide CAS Name: 2-[3-(3-methylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]-4-pyridinecarboxamide IUPAC Name: 2-[3-(3-methylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Traditional Name: N-(4-mesylbenzyl)-2-[3-(m-tolyl)prop-1-ynyl]isonicotinamide Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O3S/c1-18-5-3-6-19(15-18)7-4-8-22-16-21(13-14-25-22)24(27)26-17-20-9-11-23(12-10-20)30(2,28)29/h3,5-6,9-16H,7,17H2,1-2H3,(H,26,27)