5-bromanyl-2-methoxy-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide Openeye Name: 5-bromo-2-methoxy-N-[1-(4-methylpiperazin-1-yl)-3-isoquinolyl]benzenesulfonamide CAS Name: 5-bromo-2-methoxy-N-[1-(4-methyl-1-piperazinyl)-3-isoquinolinyl]benzenesulfonamide IUPAC Name: 5-bromo-2-methoxy-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide Traditional Name: 5-bromo-2-methoxy-N-[1-(4-methylpiperazino)-3-isoquinolyl]benzenesulfonamide Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O3S/c1-25-9-11-26(12-10-25)21-17-6-4-3-5-15(17)13-20(23-21)24-30(27,28)19-14-16(22)7-8-18(19)29-2/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)