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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC=C(C=C4)Br

InChI

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