[5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] 2,2-dimethylpropanoate Openeye Name: [4-(benzenesulfonyl)-5-methyl-2-phenyl-pyrazol-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-(benzenesulfonyl)-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (4-besyl-5-methyl-2-phenyl-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)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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