1-(4-fluorophenyl)-5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-5-methyl-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(4-fluorophenyl)-5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazole-3-carboxamide Formula: C21H24FN6O3S+ MolecularWeight: 459.517063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H23FN6O3S/c1-15-23-20(25-28(15)18-7-3-16(22)4-8-18)21(29)24-17-5-9-19(10-6-17)32(30,31)27-13-11-26(2)12-14-27/h3-10H,11-14H2,1-2H3,(H,24,29)/p+1