N-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-5-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(4-methylpiperazino)-7-(trifluoromethyl)quinoxalin-5-yl]-3-nitro-benzenesulfonamide Formula: C20H19F3N6O4S MolecularWeight: 496.46287

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CN=C3C=C(C=C(C3=N2)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=CN=C3C=C(C=C(C3=N2)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H19F3N6O4S/c1-27-5-7-28(8-6-27)18-12-24-16-9-13(20(21,22)23)10-17(19(16)25-18)26-34(32,33)15-4-2-3-14(11-15)29(30)31/h2-4,9-12,26H,5-8H2,1H3