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

Systemtic Name: (1-ethyl-5-methyl-2-naphthalen-1-yl-4-phenyl-3H-pyrazol-3-yl) 4-(trifluoromethylsulfonyl)benzenesulfonate Openeye Name: [1-ethyl-5-methyl-2-(1-naphthyl)-4-phenyl-3H-pyrazol-3-yl] 4-(trifluoromethylsulfonyl)benzenesulfonate CAS Name: 4-(trifluoromethylsulfonyl)benzenesulfonic acid [1-ethyl-5-methyl-2-(1-naphthalenyl)-4-phenyl-3H-pyrazol-3-yl] ester IUPAC Name: (1-ethyl-5-methyl-2-naphthalen-1-yl-4-phenyl-3H-pyrazol-3-yl) 4-(trifluoromethylsulfonyl)benzenesulfonate Traditional Name: 4-triflylbenzenesulfonic acid [1-ethyl-5-methyl-2-(1-naphthyl)-4-phenyl-3-pyrazolin-3-yl] ester Formula: C29H25F3N2O5S2 MolecularWeight: 602.64441

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N1C2=CC=CC3=CC=CC=C32)OS(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F)C5=CC=CC=C5)C

Isomeric SMILES

CCN1C(=C(C(N1C2=CC=CC3=CC=CC=C32)OS(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F)C5=CC=CC=C5)C

InChI

InChI=1S/C29H25F3N2O5S2/c1-3-33-20(2)27(22-11-5-4-6-12-22)28(34(33)26-15-9-13-21-10-7-8-14-25(21)26)39-41(37,38)24-18-16-23(17-19-24)40(35,36)29(30,31)32/h4-19,28H,3H2,1-2H3