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

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 5-bromanylfuran-2-carboxylate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenylpyrazol-3-yl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid (5-methyl-2-phenyl-4-tosyl-pyrazol-3-yl) ester Formula: C22H17BrN2O5S MolecularWeight: 501.34978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=C(O4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C22H17BrN2O5S/c1-14-8-10-17(11-9-14)31(27,28)20-15(2)24-25(16-6-4-3-5-7-16)21(20)30-22(26)18-12-13-19(23)29-18/h3-13H,1-2H3