4-fluoranyl-N-[(1R,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[(1R,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[(1R,2R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]benzenesulfonamide CAS Name: 4-fluoro-N-[(1R,2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[(1R,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[(1R,2R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]benzenesulfonamide Formula: C18H25FN3O2S2+ MolecularWeight: 398.538403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CC[NH+](CC2)C)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)N2CC[NH+](CC2)C)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H24FN3O2S2/c1-14(20-26(23,24)16-7-5-15(19)6-8-16)18(17-4-3-13-25-17)22-11-9-21(2)10-12-22/h3-8,13-14,18,20H,9-12H2,1-2H3/p+1/t14-,18-/m1/s1