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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)CCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)CCC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C23H26N2O4S/c1-17-21(30(27,28)19-13-9-6-10-14-19)22(25(24-17)23(2,3)4)29-20(26)16-15-18-11-7-5-8-12-18/h5-14H,15-16H2,1-4H3