N-[3-(6-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-2,5-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[3-(6-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]-2,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-2,5-difluoro-benzenesulfonamide CAS Name: N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-2,5-difluorobenzenesulfonamide IUPAC Name: N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-2,5-difluorobenzenesulfonamide Traditional Name: N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]-2,5-difluoro-benzenesulfonamide Formula: C21H15ClF2N2O2S MolecularWeight: 432.870806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=C1C=C(C=C2)Cl)C3=CC(=CC=C3)NS(=O)(=O)C4=C(C=CC(=C4)F)F

Isomeric SMILES

C1CN=C(C2=C1C=C(C=C2)Cl)C3=CC(=CC=C3)NS(=O)(=O)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C21H15ClF2N2O2S/c22-15-4-6-18-13(10-15)8-9-25-21(18)14-2-1-3-17(11-14)26-29(27,28)20-12-16(23)5-7-19(20)24/h1-7,10-12,26H,8-9H2