N-(4-bromanyl-2-fluoranyl-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)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)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

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

InChI

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