N-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]quinoline-8-sulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]quinoline-8-sulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]quinoline-8-sulfonamide CAS Name: N-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-8-quinolinesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]quinoline-8-sulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]quinoline-8-sulfonamide Formula: C25H21N3O3S MolecularWeight: 443.51754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H21N3O3S/c29-25(28-16-14-18-7-1-2-8-20(18)17-28)21-11-3-4-12-22(21)27-32(30,31)23-13-5-9-19-10-6-15-26-24(19)23/h1-13,15,27H,14,16-17H2