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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] cyclohexanecarboxylate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic 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] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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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)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3CCCCC3

InChI

InChI=1S/C22H30N2O4S/c1-15-11-13-18(14-12-15)29(26,27)19-16(2)23-24(22(3,4)5)20(19)28-21(25)17-9-7-6-8-10-17/h11-14,17H,6-10H2,1-5H3