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

Systemtic Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-3,4-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-3,4-difluoro-benzenesulfonamide CAS Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide IUPAC Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide Traditional Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-3,4-difluoro-benzenesulfonamide Formula: C21H16F2N2O2S MolecularWeight: 398.425746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC=CC=C21)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CN=C(C2=CC=CC=C21)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C21H16F2N2O2S/c22-19-10-9-17(13-20(19)23)28(26,27)25-16-7-5-15(6-8-16)21-18-4-2-1-3-14(18)11-12-24-21/h1-10,13,25H,11-12H2