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

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] cyclopropanecarboxylate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3CC3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3CC3)C(C)(C)C

InChI

InChI=1S/C18H22N2O4S/c1-12-15(25(22,23)14-8-6-5-7-9-14)16(20(19-12)18(2,3)4)24-17(21)13-10-11-13/h5-9,13H,10-11H2,1-4H3