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

Systemtic Name: 3,4-dimethoxy-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[1-(4-methylpiperazin-1-yl)-3-isoquinolyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[1-(4-methyl-1-piperazinyl)-3-isoquinolinyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[1-(4-methylpiperazino)-3-isoquinolyl]benzenesulfonamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-25-10-12-26(13-11-25)22-18-7-5-4-6-16(18)14-21(23-22)24-31(27,28)17-8-9-19(29-2)20(15-17)30-3/h4-9,14-15H,10-13H2,1-3H3,(H,23,24)