4-azido-2-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-1,4-dihydroisoquinolin-3-one

Systemtic Name: 4-azido-2-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-1,4-dihydroisoquinolin-3-one Openeye Name: 4-azido-2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,4-dihydroisoquinolin-3-one CAS Name: 4-azido-2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,4-dihydroisoquinolin-3-one IUPAC Name: 4-azido-2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1,4-dihydroisoquinolin-3-one Traditional Name: 4-azido-2-[2-fluoro-4-(2-mesylphenyl)phenyl]-1,4-dihydroisoquinolin-3-one Formula: C22H17FN4O3S MolecularWeight: 436.458783

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CC4=CC=CC=C4C(C3=O)N=[N+]=[N-])F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CC4=CC=CC=C4C(C3=O)N=[N+]=[N-])F

InChI

InChI=1S/C22H17FN4O3S/c1-31(29,30)20-9-5-4-7-16(20)14-10-11-19(18(23)12-14)27-13-15-6-2-3-8-17(15)21(22(27)28)25-26-24/h2-12,21H,13H2,1H3