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

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-nitrobenzoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 2-nitrobenzoate CAS Name: 2-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-nitrobenzoate Traditional Name: 2-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/c1-16-12-14-19(15-13-16)34(31,32)22-17(2)25-26(18-8-4-3-5-9-18)23(22)33-24(28)20-10-6-7-11-21(20)27(29)30/h3-15H,1-2H3