[2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: [2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [2-(3-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-phenylpyrazol-3-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H16ClN3O5S MolecularWeight: 469.89754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O5S/c1-15-6-5-9-17(12-15)25-22(14-20(24-25)16-7-3-2-4-8-16)31-32(29,30)18-10-11-19(23)21(13-18)26(27)28/h2-14H,1H3