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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoranyl-benzamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoro-benzamide CAS Name: N-(4-bromo-2-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluorobenzamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluorobenzamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluoro-benzamide Formula: C22H17BrF2N2O3S MolecularWeight: 507.347786

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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=C(C=C(C=C4)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrF2N2O3S/c23-16-5-8-21(20(25)11-16)26-22(28)18-12-17(6-7-19(18)24)31(29,30)27-10-9-14-3-1-2-4-15(14)13-27/h1-8,11-12H,9-10,13H2,(H,26,28)