[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ethanesulfonate

Systemtic Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ethanesulfonate Openeye Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ethanesulfonate CAS Name: ethanesulfonic acid [2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC(=NN1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)OC1=CC(=NN1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S/c1-3-25(21,22)24-18-13-17(14-7-5-4-6-8-14)19-20(18)15-9-11-16(23-2)12-10-15/h4-13H,3H2,1-2H3