[5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] naphthalene-1-sulfonate

Systemtic Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] naphthalene-1-sulfonate Openeye Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [5-tert-butyl-2-(3-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] ester Formula: C23H21FN2O3S MolecularWeight: 424.487843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H21FN2O3S/c1-23(2,3)21-15-22(26(25-21)18-11-7-10-17(24)14-18)29-30(27,28)20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,1-3H3