[5-methyl-2-(2-phenoxyethyl)-4-phenyl-pyrazol-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [5-methyl-2-(2-phenoxyethyl)-4-phenyl-pyrazol-3-yl] 4-nitrobenzenesulfonate Openeye Name: [5-methyl-2-(2-phenoxyethyl)-4-phenyl-pyrazol-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [5-methyl-2-(2-phenoxyethyl)-4-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(2-phenoxyethyl)-4-phenylpyrazol-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [5-methyl-2-(2-phenoxyethyl)-4-phenyl-pyrazol-3-yl] ester Formula: C24H21N3O6S MolecularWeight: 479.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCOC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCOC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O6S/c1-18-23(19-8-4-2-5-9-19)24(26(25-18)16-17-32-21-10-6-3-7-11-21)33-34(30,31)22-14-12-20(13-15-22)27(28)29/h2-15H,16-17H2,1H3