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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC(=CC=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(C#CC1=CC(=CC=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

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