2,3,4-tris(fluoranyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 2,3,4-tris(fluoranyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Openeye Name: 2,3,4-trifluoro-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide CAS Name: 2,3,4-trifluoro-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 2,3,4-trifluoro-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Traditional Name: 2,3,4-trifluoro-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Formula: C18H21F3N3O2S+ MolecularWeight: 400.43845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NS(=O)(=O)C3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NS(=O)(=O)C3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C18H20F3N3O2S/c1-12-11-13(24-9-7-23(2)8-10-24)3-5-15(12)22-27(25,26)16-6-4-14(19)17(20)18(16)21/h3-6,11,22H,7-10H2,1-2H3/p+1