[2-chloranyl-4-fluoranyl-5-(3,4,5-trimethylpyrazol-1-yl)phenyl] benzenesulfonate

Systemtic Name: [2-chloranyl-4-fluoranyl-5-(3,4,5-trimethylpyrazol-1-yl)phenyl] benzenesulfonate Openeye Name: [2-chloro-4-fluoro-5-(3,4,5-trimethylpyrazol-1-yl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-chloro-4-fluoro-5-(3,4,5-trimethyl-1-pyrazolyl)phenyl] ester IUPAC Name: [2-chloro-4-fluoro-5-(3,4,5-trimethylpyrazol-1-yl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-chloro-4-fluoro-5-(3,4,5-trimethylpyrazol-1-yl)phenyl] ester Formula: C18H16ClFN2O3S MolecularWeight: 394.847643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=CC(=C(C=C2F)Cl)OS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=CC(=C(C=C2F)Cl)OS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H16ClFN2O3S/c1-11-12(2)21-22(13(11)3)17-10-18(15(19)9-16(17)20)25-26(23,24)14-7-5-4-6-8-14/h4-10H,1-3H3