[4-(2-fluorophenyl)-5-(hydroxymethyl)-1H-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-fluorophenyl)-5-(hydroxymethyl)-1H-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-(2-fluorophenyl)-5-(hydroxymethyl)-1H-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-fluorophenyl)-5-(hydroxymethyl)-1H-pyrazol-3-yl] ester IUPAC Name: [4-(2-fluorophenyl)-5-(hydroxymethyl)-1H-pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-fluorophenyl)-5-methylol-1H-pyrazol-3-yl] ester Formula: C17H15FN2O4S MolecularWeight: 362.375403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NNC(=C2C3=CC=CC=C3F)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NNC(=C2C3=CC=CC=C3F)CO

InChI

InChI=1S/C17H15FN2O4S/c1-11-6-8-12(9-7-11)25(22,23)24-17-16(15(10-21)19-20-17)13-4-2-3-5-14(13)18/h2-9,21H,10H2,1H3,(H,19,20)