N-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-benzothiazol-2-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-benzothiazol-2-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-benzothiazol-2-yl]-4-fluoro-benzenesulfonamide CAS Name: N-[6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1,3-benzothiazol-2-yl]-4-fluorobenzenesulfonamide IUPAC Name: N-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-benzothiazol-2-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-benzothiazol-2-yl]-4-fluoro-benzenesulfonamide Formula: C23H18FN3O3S2 MolecularWeight: 467.535723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)N=C(S4)NS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)N=C(S4)NS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H18FN3O3S2/c24-18-6-8-19(9-7-18)32(29,30)26-23-25-20-10-5-16(13-21(20)31-23)22(28)27-12-11-15-3-1-2-4-17(15)14-27/h1-10,13H,11-12,14H2,(H,25,26)