[5-cyclopropyl-2-methyl-4-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-pyrazol-3-yl] benzenesulfonate

Systemtic Name: [5-cyclopropyl-2-methyl-4-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-pyrazol-3-yl] benzenesulfonate Openeye Name: [5-cyclopropyl-2-methyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [5-cyclopropyl-2-methyl-4-[[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [5-cyclopropyl-2-methyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]pyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-cyclopropyl-4-[2-mesyl-4-(trifluoromethyl)benzoyl]-2-methyl-pyrazol-3-yl] ester Formula: C22H19F3N2O6S2 MolecularWeight: 528.52127

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2CC2)C(=O)C3=C(C=C(C=C3)C(F)(F)F)S(=O)(=O)C)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C(=N1)C2CC2)C(=O)C3=C(C=C(C=C3)C(F)(F)F)S(=O)(=O)C)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19F3N2O6S2/c1-27-21(33-35(31,32)15-6-4-3-5-7-15)18(19(26-27)13-8-9-13)20(28)16-11-10-14(22(23,24)25)12-17(16)34(2,29)30/h3-7,10-13H,8-9H2,1-2H3