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

Systemtic Name: 3-[3-(4-methoxyphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Openeye Name: 3-[3-(4-methoxyphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide CAS Name: 3-[3-(4-methoxyphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]-4-pyridinecarboxamide IUPAC Name: 3-[3-(4-methoxyphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Traditional Name: N-(4-mesylbenzyl)-3-[3-(4-methoxyphenyl)prop-1-ynyl]isonicotinamide Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC#CC2=C(C=CN=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CC#CC2=C(C=CN=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H22N2O4S/c1-30-21-10-6-18(7-11-21)4-3-5-20-17-25-15-14-23(20)24(27)26-16-19-8-12-22(13-9-19)31(2,28)29/h6-15,17H,4,16H2,1-2H3,(H,26,27)