[5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [5-amino-1-(p-tolylsulfonyl)pyrazol-3-yl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Formula: C17H13ClFN3O4S MolecularWeight: 409.819223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=C(C=CC=C3Cl)F)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=C(C=CC=C3Cl)F)N

InChI

InChI=1S/C17H13ClFN3O4S/c1-10-5-7-11(8-6-10)27(24,25)22-14(20)9-15(21-22)26-17(23)16-12(18)3-2-4-13(16)19/h2-9H,20H2,1H3