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

Systemtic Name: [5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] 5-bromanylfuran-2-carboxylate Openeye Name: [4-(benzenesulfonyl)-5-methyl-2-phenyl-pyrazol-3-yl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [4-(benzenesulfonyl)-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid (4-besyl-5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C21H15BrN2O5S MolecularWeight: 487.3232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H15BrN2O5S/c1-14-19(30(26,27)16-10-6-3-7-11-16)20(24(23-14)15-8-4-2-5-9-15)29-21(25)17-12-13-18(22)28-17/h2-13H,1H3