N-(3-fluorophenyl)-2-[4-(5-sulfamoylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(5-sulfamoylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(5-sulfamoylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-(5-sulfamoyl-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(5-sulfamoylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(5-sulfamoylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C17H22FN5O3S+2 MolecularWeight: 395.451683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H20FN5O3S/c18-13-2-1-3-14(10-13)21-17(24)12-22-6-8-23(9-7-22)16-5-4-15(11-20-16)27(19,25)26/h1-5,10-11H,6-9,12H2,(H,21,24)(H2,19,25,26)/p+2