6-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]-3-(2-methylsulfonylphenyl)-2H-pyridine-3-carboxamide

Systemtic Name: 6-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]-3-(2-methylsulfonylphenyl)-2H-pyridine-3-carboxamide Openeye Name: 6-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]-3-(2-methylsulfonylphenyl)-2H-pyridine-3-carboxamide CAS Name: 6-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-1-pyrazol-1-iumyl]-3-(2-methylsulfonylphenyl)-2H-pyridine-3-carboxamide IUPAC Name: 6-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]-3-(2-methylsulfonylphenyl)-2H-pyridine-3-carboxamide Traditional Name: 3-(2-mesylphenyl)-6-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]-2H-pyridine-3-carboxamide Formula: C24H22F3N4O4S+ MolecularWeight: 519.51609

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2(C=CC(=N2)C(F)(F)F)C3=NCC(C=C3)(C4=CC=CC=C4S(=O)(=O)C)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2(C=CC(=N2)C(F)(F)F)C3=NCC(C=C3)(C4=CC=CC=C4S(=O)(=O)C)C(=O)N

InChI

InChI=1S/C24H21F3N4O4S/c1-35-17-9-7-16(8-10-17)31(14-12-20(30-31)24(25,26)27)21-11-13-23(15-29-21,22(28)32)18-5-3-4-6-19(18)36(2,33)34/h3-14H,15H2,1-2H3,(H-,28,32)/p+1