N4-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide

Systemtic Name: N4-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide Openeye Name: N4-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide CAS Name: N4-[2-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide IUPAC Name: 4-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide Traditional Name: N'-[2-(4-methylpiperazino)-5-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide Formula: C18H21F3N4O4S2 MolecularWeight: 478.50895

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H21F3N4O4S2/c1-24-8-10-25(11-9-24)17-7-2-13(18(19,20)21)12-16(17)23-31(28,29)15-5-3-14(4-6-15)30(22,26)27/h2-7,12,23H,8-11H2,1H3,(H2,22,26,27)