4-fluoranyl-N-methyl-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-methyl-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: 4-fluoro-N-methyl-N-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide CAS Name: 4-fluoro-N-methyl-N-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-methyl-N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]-N-methyl-benzenesulfonamide Formula: C18H23FN3O3S2+ MolecularWeight: 412.521923

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CSC=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CSC=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3O3S2/c1-20(27(24,25)17-4-2-16(19)3-5-17)13-18(23)22-9-7-21(8-10-22)12-15-6-11-26-14-15/h2-6,11,14H,7-10,12-13H2,1H3/p+1