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

Systemtic Name: 3-[3-(3-bromophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Openeye Name: 3-[3-(3-bromophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide CAS Name: 3-[3-(3-bromophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide IUPAC Name: 3-[3-(3-bromophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Traditional Name: 3-[3-(3-bromophenyl)prop-1-ynyl]-N-(4-mesylbenzyl)benzamide Formula: C24H20BrNO3S MolecularWeight: 482.3895

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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#CCC3=CC(=CC=C3)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C#CCC3=CC(=CC=C3)Br

InChI

InChI=1S/C24H20BrNO3S/c1-30(28,29)23-13-11-20(12-14-23)17-26-24(27)21-9-3-7-18(15-21)5-2-6-19-8-4-10-22(25)16-19/h3-4,7-16H,6,17H2,1H3,(H,26,27)