2-(4-fluorophenyl)-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(4-fluorophenyl)-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-(4-fluorophenyl)thiazole CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-2-(4-fluorophenyl)thiazole IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-(4-fluorophenyl)-1,3-thiazole Traditional Name: 4-[(4-besylpiperazin-1-ium-1-yl)methyl]-2-(4-fluorophenyl)thiazole Formula: C20H21FN3O2S2+ MolecularWeight: 418.528043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20FN3O2S2/c21-17-8-6-16(7-9-17)20-22-18(15-27-20)14-23-10-12-24(13-11-23)28(25,26)19-4-2-1-3-5-19/h1-9,15H,10-14H2/p+1