N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-8-quinolinesulfonamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoline-8-sulfonamide Formula: C24H21N3O4S2 MolecularWeight: 479.57124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O4S2/c28-32(29,23-10-4-6-19-7-5-14-25-24(19)23)26-21-12-11-18-13-15-27(17-20(18)16-21)33(30,31)22-8-2-1-3-9-22/h1-12,14,16,26H,13,15,17H2