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

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3,5-dimethylbenzoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C23H26N2O4S MolecularWeight: 426.52854

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-15-12-16(2)14-18(13-15)22(26)29-21-20(17(3)24-25(21)23(4,5)6)30(27,28)19-10-8-7-9-11-19/h7-14H,1-6H3