[5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-methyl-3-nitro-benzoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (5-methyl-2-phenyl-4-tosyl-pyrazol-3-yl) ester Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H21N3O6S/c1-16-12-14-20(15-13-16)35(32,33)23-18(3)26-27(19-8-5-4-6-9-19)24(23)34-25(29)21-10-7-11-22(17(21)2)28(30)31/h4-15H,1-3H3