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

Systemtic Name: 2-[3-[3-(3-methoxypyridin-4-yl)phenyl]prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Openeye Name: 2-[3-[3-(3-methoxy-4-pyridyl)phenyl]prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide CAS Name: 2-[3-[3-(3-methoxy-4-pyridinyl)phenyl]prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]-4-pyridinecarboxamide IUPAC Name: 2-[3-[3-(3-methoxypyridin-4-yl)phenyl]prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Traditional Name: N-(4-mesylbenzyl)-2-[3-[3-(3-methoxy-4-pyridyl)phenyl]prop-1-ynyl]isonicotinamide Formula: C29H25N3O4S MolecularWeight: 511.5915

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CN=C1)C2=CC(=CC=C2)CC#CC3=NC=CC(=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CN=C1)C2=CC(=CC=C2)CC#CC3=NC=CC(=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C29H25N3O4S/c1-36-28-20-30-15-14-27(28)23-7-3-5-21(17-23)6-4-8-25-18-24(13-16-31-25)29(33)32-19-22-9-11-26(12-10-22)37(2,34)35/h3,5,7,9-18,20H,6,19H2,1-2H3,(H,32,33)