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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 4-phenylbutanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O4S/c1-18-14-16-21(17-15-18)32(29,30)23-19(2)26-27(25(3,4)5)24(23)31-22(28)13-9-12-20-10-7-6-8-11-20/h6-8,10-11,14-17H,9,12-13H2,1-5H3