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

Systemtic Name: 3-[3-(4-methylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-(p-tolyl)prop-1-ynyl]benzamide CAS Name: 3-[3-(4-methylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide IUPAC Name: 3-[3-(4-methylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Traditional Name: N-(4-mesylbenzyl)-3-[3-(p-tolyl)prop-1-ynyl]benzamide Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC#CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC#CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C25H23NO3S/c1-19-9-11-20(12-10-19)5-3-6-21-7-4-8-23(17-21)25(27)26-18-22-13-15-24(16-14-22)30(2,28)29/h4,7-17H,5,18H2,1-2H3,(H,26,27)