3-[3-(4-cyanophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide

Systemtic Name: 3-[3-(4-cyanophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Openeye Name: 3-[3-(4-cyanophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide CAS Name: 3-[3-(4-cyanophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide IUPAC Name: 3-[3-(4-cyanophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Traditional Name: 3-[3-(4-cyanophenyl)prop-1-ynyl]-N-(4-mesylbenzyl)benzamide Formula: C25H20N2O3S MolecularWeight: 428.5029

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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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O3S/c1-31(29,30)24-14-12-22(13-15-24)18-27-25(28)23-7-3-6-20(16-23)5-2-4-19-8-10-21(17-26)11-9-19/h3,6-16H,4,18H2,1H3,(H,27,28)