N-(2-bromophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoranyl-benzamide

Systemtic Name: N-(2-bromophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoranyl-benzamide Openeye Name: N-(2-bromophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoro-benzamide CAS Name: N-(2-bromophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluorobenzamide IUPAC Name: N-(2-bromophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluorobenzamide Traditional Name: N-(2-bromophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoro-benzamide Formula: C22H18BrFN2O3S MolecularWeight: 489.357323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC=CC=C4Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C22H18BrFN2O3S/c23-19-7-3-4-8-21(19)25-22(27)18-13-17(9-10-20(18)24)30(28,29)26-12-11-15-5-1-2-6-16(15)14-26/h1-10,13H,11-12,14H2,(H,25,27)