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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 3-cyclopentylpropanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic 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] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C23H32N2O4S MolecularWeight: 432.57618

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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)CCC3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)CCC3CCCC3

InChI

InChI=1S/C23H32N2O4S/c1-16-10-13-19(14-11-16)30(27,28)21-17(2)24-25(23(3,4)5)22(21)29-20(26)15-12-18-8-6-7-9-18/h10-11,13-14,18H,6-9,12,15H2,1-5H3