N-[(4-methylsulfonylphenyl)methyl]-3-(3-pyridin-4-ylprop-1-ynyl)benzamide

Systemtic Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-pyridin-4-ylprop-1-ynyl)benzamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-(4-pyridyl)prop-1-ynyl]benzamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-pyridin-4-ylprop-1-ynyl)benzamide IUPAC Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-pyridin-4-ylprop-1-ynyl)benzamide Traditional Name: N-(4-mesylbenzyl)-3-[3-(4-pyridyl)prop-1-ynyl]benzamide Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C#CCC3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C#CCC3=CC=NC=C3

InChI

InChI=1S/C23H20N2O3S/c1-29(27,28)22-10-8-20(9-11-22)17-25-23(26)21-7-3-6-19(16-21)5-2-4-18-12-14-24-15-13-18/h3,6-16H,4,17H2,1H3,(H,25,26)