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

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2-bromanylbenzoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C21H21BrN2O4S MolecularWeight: 477.37144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Br)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Br)C(C)(C)C

InChI

InChI=1S/C21H21BrN2O4S/c1-14-18(29(26,27)15-10-6-5-7-11-15)19(24(23-14)21(2,3)4)28-20(25)16-12-8-9-13-17(16)22/h5-13H,1-4H3