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

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] benzoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] benzoate CAS Name: benzoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] benzoate Traditional Name: benzoic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-15-18(28(25,26)17-13-9-6-10-14-17)19(23(22-15)21(2,3)4)27-20(24)16-11-7-5-8-12-16/h5-14H,1-4H3