N-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-3,4-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-3,4-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-3,4-difluoro-benzenesulfonamide CAS Name: N-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-3,4-difluorobenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-3,4-difluoro-benzenesulfonamide Formula: C22H18F2N2O3S MolecularWeight: 428.451726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C22H18F2N2O3S/c23-20-9-8-19(13-21(20)24)30(28,29)25-18-7-3-6-16(12-18)22(27)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13,25H,10-11,14H2