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

Systemtic Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 4-phenylbutanoate Openeye Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid (5-methyl-4-nosyl-2-phenyl-pyrazol-3-yl) ester Formula: C26H23N3O6S MolecularWeight: 505.54232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O6S/c1-19-25(36(33,34)23-17-15-22(16-18-23)29(31)32)26(28(27-19)21-12-6-3-7-13-21)35-24(30)14-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-13,15-18H,8,11,14H2,1H3