N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-piazthiol-4-yl-acetamide Formula: C18H19FN5O3S2+ MolecularWeight: 436.503563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=NSN=C32)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=NSN=C32)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C18H18FN5O3S2/c19-13-4-1-2-7-16(13)29(26,27)24-10-8-23(9-11-24)12-17(25)20-14-5-3-6-15-18(14)22-28-21-15/h1-7H,8-12H2,(H,20,25)/p+1