4-chloranyl-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 4-chloro-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: 4-chloro-N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 4-chloro-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C15H23ClF3N3O2S+2 MolecularWeight: 401.87523

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C15H21ClF3N3O2S/c1-21-7-9-22(10-8-21)6-2-5-20-25(23,24)12-3-4-14(16)13(11-12)15(17,18)19/h3-4,11,20H,2,5-10H2,1H3/p+2