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

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3-methylbenzoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c1-15-10-9-11-17(14-15)21(25)28-20-19(16(2)23-24(20)22(3,4)5)29(26,27)18-12-7-6-8-13-18/h6-14H,1-5H3