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

Systemtic Name: 3,4-bis(chloranyl)-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide Openeye Name: 3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)-3-isoquinolyl]benzenesulfonamide CAS Name: 3,4-dichloro-N-[1-(4-methyl-1-piperazinyl)-3-isoquinolinyl]benzenesulfonamide IUPAC Name: 3,4-dichloro-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide Traditional Name: 3,4-dichloro-N-[1-(4-methylpiperazino)-3-isoquinolyl]benzenesulfonamide Formula: C20H20Cl2N4O2S MolecularWeight: 451.3694

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N4O2S/c1-25-8-10-26(11-9-25)20-16-5-3-2-4-14(16)12-19(23-20)24-29(27,28)15-6-7-17(21)18(22)13-15/h2-7,12-13H,8-11H2,1H3,(H,23,24)