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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-nitrobenzoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic 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] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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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)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6S/c1-14-10-12-16(13-11-14)32(29,30)19-15(2)23-24(22(3,4)5)20(19)31-21(26)17-8-6-7-9-18(17)25(27)28/h6-13H,1-5H3