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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO3S/c1-19-6-3-7-20(16-19)8-4-9-21-10-5-11-23(17-21)25(27)26-18-22-12-14-24(15-13-22)30(2,28)29/h3,5-7,10-17H,8,18H2,1-2H3,(H,26,27)