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

Systemtic Name: 3-(3-cyano-3-phenyl-prop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide Openeye Name: 3-(3-cyano-3-phenyl-prop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide CAS Name: 3-(3-cyano-3-phenylprop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide IUPAC Name: 3-(3-cyano-3-phenylprop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide Traditional Name: 3-(3-cyano-3-phenyl-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#CC(C#N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O3S/c1-31(29,30)24-14-11-20(12-15-24)18-27-25(28)22-9-5-6-19(16-22)10-13-23(17-26)21-7-3-2-4-8-21/h2-9,11-12,14-16,23H,18H2,1H3,(H,27,28)