[2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3-fluoranylbenzoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3-fluoranylbenzoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)F)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)F)C(C)(C)C

InChI

InChI=1S/C21H21FN2O4S/c1-14-18(29(26,27)17-11-6-5-7-12-17)19(24(23-14)21(2,3)4)28-20(25)15-9-8-10-16(22)13-15/h5-13H,1-4H3