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

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2-phenylbutanoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-6-20(18-13-9-7-10-14-18)23(27)30-22-21(17(2)25-26(22)24(3,4)5)31(28,29)19-15-11-8-12-16-19/h7-16,20H,6H2,1-5H3