N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-methylsulfonyl-benzenesulfonamide Openeye Name: N-[1-(4-methylpiperazin-1-yl)-3-isoquinolyl]-2-methylsulfonyl-benzenesulfonamide CAS Name: N-[1-(4-methyl-1-piperazinyl)-3-isoquinolinyl]-2-methylsulfonylbenzenesulfonamide IUPAC Name: N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-methylsulfonylbenzenesulfonamide Traditional Name: 2-mesyl-N-[1-(4-methylpiperazino)-3-isoquinolyl]benzenesulfonamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C21H24N4O4S2/c1-24-11-13-25(14-12-24)21-17-8-4-3-7-16(17)15-20(22-21)23-31(28,29)19-10-6-5-9-18(19)30(2,26)27/h3-10,15H,11-14H2,1-2H3,(H,22,23)