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

Systemtic Name: 2-chloranyl-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: 2-chloro-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-fluoro-benzenesulfonamide CAS Name: 2-chloro-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-fluorobenzenesulfonamide IUPAC Name: 2-chloro-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-fluorobenzenesulfonamide Traditional Name: 2-chloro-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-fluoro-benzenesulfonamide Formula: C21H16ClFN2O2S MolecularWeight: 414.880343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClFN2O2S/c22-19-13-16(23)8-9-20(19)28(26,27)25-17-6-3-5-15(12-17)21-18-7-2-1-4-14(18)10-11-24-21/h1-9,12-13,25H,10-11H2