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

Systemtic Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-pyridin-3-ylprop-1-ynyl)benzamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-(3-pyridyl)prop-1-ynyl]benzamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-(3-pyridinyl)prop-1-ynyl]benzamide IUPAC Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-pyridin-3-ylprop-1-ynyl)benzamide Traditional Name: N-(4-mesylbenzyl)-3-[3-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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