3-methoxy-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide

Systemtic Name: 3-methoxy-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide Openeye Name: 3-methoxy-N-[1-(4-methylpiperazin-1-yl)-3-isoquinolyl]benzenesulfonamide CAS Name: 3-methoxy-N-[1-(4-methyl-1-piperazinyl)-3-isoquinolinyl]benzenesulfonamide IUPAC Name: 3-methoxy-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide Traditional Name: 3-methoxy-N-[1-(4-methylpiperazino)-3-isoquinolyl]benzenesulfonamide Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC(=C4)OC

Isomeric SMILES

CN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC(=C4)OC

InChI

InChI=1S/C21H24N4O3S/c1-24-10-12-25(13-11-24)21-19-9-4-3-6-16(19)14-20(22-21)23-29(26,27)18-8-5-7-17(15-18)28-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,23)