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

Systemtic Name: 4-bromanyl-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[1-(4-methylpiperazin-1-yl)-3-isoquinolyl]benzenesulfonamide CAS Name: 4-bromo-N-[1-(4-methyl-1-piperazinyl)-3-isoquinolinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[1-(4-methylpiperazino)-3-isoquinolyl]benzenesulfonamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O2S/c1-24-10-12-25(13-11-24)20-18-5-3-2-4-15(18)14-19(22-20)23-28(26,27)17-8-6-16(21)7-9-17/h2-9,14H,10-13H2,1H3,(H,22,23)