[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-nitrophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-phenylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O5S/c1-16-7-13-20(14-8-16)31(28,29)30-22-15-21(17-5-3-2-4-6-17)23-24(22)18-9-11-19(12-10-18)25(26)27/h2-15H,1H3