[5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-ethylbutanoate

Systemtic Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-ethylbutanoate Openeye Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid (5-methyl-4-nosyl-2-phenyl-pyrazol-3-yl) ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6S/c1-4-16(5-2)22(26)31-21-20(15(3)23-24(21)17-9-7-6-8-10-17)32(29,30)19-13-11-18(12-14-19)25(27)28/h6-14,16H,4-5H2,1-3H3