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

Systemtic Name: N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[1-(4-methylpiperazin-1-yl)-3-isoquinolyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[1-(4-methyl-1-piperazinyl)-3-isoquinolinyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[1-(4-methylpiperazino)-3-isoquinolyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C21H21F3N4O2S MolecularWeight: 450.47725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N4O2S/c1-27-9-11-28(12-10-27)20-18-8-3-2-5-15(18)13-19(25-20)26-31(29,30)17-7-4-6-16(14-17)21(22,23)24/h2-8,13-14H,9-12H2,1H3,(H,25,26)