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

Systemtic Name: 3-[3-(3-methylsulfanylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Openeye Name: 3-[3-(3-methylsulfanylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-[3-(methylthio)phenyl]prop-1-ynyl]benzamide IUPAC Name: 3-[3-(3-methylsulfanylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Traditional Name: N-(4-mesylbenzyl)-3-[3-[3-(methylthio)phenyl]prop-1-ynyl]benzamide Formula: C25H23NO3S2 MolecularWeight: 449.58502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CC#CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)CC#CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C25H23NO3S2/c1-30-23-11-5-9-20(17-23)7-3-6-19-8-4-10-22(16-19)25(27)26-18-21-12-14-24(15-13-21)31(2,28)29/h4-5,8-17H,7,18H2,1-2H3,(H,26,27)