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

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3-nitrobenzoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 3-nitrobenzoate CAS Name: 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] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (5-methyl-2-phenyl-4-tosyl-pyrazol-3-yl) ester Formula: C24H19N3O6S MolecularWeight: 477.48916

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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=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O6S/c1-16-11-13-21(14-12-16)34(31,32)22-17(2)25-26(19-8-4-3-5-9-19)23(22)33-24(28)18-7-6-10-20(15-18)27(29)30/h3-15H,1-2H3