(1-ethyl-5-methyl-2-naphthalen-1-yl-3H-pyrazol-3-yl) 4-(trifluoromethylsulfonyl)benzenesulfonate

Systemtic Name: (1-ethyl-5-methyl-2-naphthalen-1-yl-3H-pyrazol-3-yl) 4-(trifluoromethylsulfonyl)benzenesulfonate Openeye Name: [1-ethyl-5-methyl-2-(1-naphthyl)-3H-pyrazol-3-yl] 4-(trifluoromethylsulfonyl)benzenesulfonate CAS Name: 4-(trifluoromethylsulfonyl)benzenesulfonic acid [1-ethyl-5-methyl-2-(1-naphthalenyl)-3H-pyrazol-3-yl] ester IUPAC Name: (1-ethyl-5-methyl-2-naphthalen-1-yl-3H-pyrazol-3-yl) 4-(trifluoromethylsulfonyl)benzenesulfonate Traditional Name: 4-triflylbenzenesulfonic acid [1-ethyl-5-methyl-2-(1-naphthyl)-3-pyrazolin-3-yl] ester Formula: C23H21F3N2O5S2 MolecularWeight: 526.54845

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(N1C2=CC=CC3=CC=CC=C32)OS(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CCN1C(=CC(N1C2=CC=CC3=CC=CC=C32)OS(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C23H21F3N2O5S2/c1-3-27-16(2)15-22(28(27)21-10-6-8-17-7-4-5-9-20(17)21)33-35(31,32)19-13-11-18(12-14-19)34(29,30)23(24,25)26/h4-15,22H,3H2,1-2H3