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

Systemtic Name: 3-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Openeye Name: 3-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide CAS Name: 3-[3-(2-methoxy-4-pyridinyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide IUPAC Name: 3-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Traditional Name: N-(4-mesylbenzyl)-3-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]benzamide Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O4S/c1-30-23-16-19(13-14-25-23)6-3-5-18-7-4-8-21(15-18)24(27)26-17-20-9-11-22(12-10-20)31(2,28)29/h4,7-16H,6,17H2,1-2H3,(H,26,27)