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

Systemtic Name: [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] ester Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)F)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)F)C(C)(C)C

InChI

InChI=1S/C21H22FN3O4S/c1-14(26)23-16-7-11-18(12-8-16)30(27,28)29-20-13-19(21(2,3)4)24-25(20)17-9-5-15(22)6-10-17/h5-13H,1-4H3,(H,23,26)