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

Systemtic Name: [5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [5-amino-1-(benzenesulfonyl)-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid (5-amino-1-besyl-pyrazol-3-yl) ester Formula: C16H11ClFN3O4S MolecularWeight: 395.792643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClFN3O4S/c17-11-7-4-8-12(18)15(11)16(22)25-14-9-13(19)21(20-14)26(23,24)10-5-2-1-3-6-10/h1-9H,19H2