[5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-ethyl-2-(4-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] ester Formula: C19H18FN3O4S MolecularWeight: 403.427323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O4S/c1-3-15-12-19(23(22-15)17-8-4-14(20)5-9-17)27-28(25,26)18-10-6-16(7-11-18)21-13(2)24/h4-12H,3H2,1-2H3,(H,21,24)