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

Systemtic Name: [5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] 4-methyl-3-nitro-benzoate Openeye Name: [4-(benzenesulfonyl)-5-methyl-2-phenyl-pyrazol-3-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-(benzenesulfonyl)-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-besyl-5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C24H19N3O6S MolecularWeight: 477.48916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

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