[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C20H21BrN2O5S/c1-12-6-8-14(9-7-12)29(25,26)17-13(2)22-23(20(3,4)5)18(17)28-19(24)15-10-11-16(21)27-15/h6-11H,1-5H3