[5-azanyl-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 2-fluoranylbenzoate

Systemtic Name: [5-azanyl-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 2-fluoranylbenzoate Openeye Name: [5-amino-1-(4-bromophenyl)sulfonyl-pyrazol-3-yl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [5-amino-1-(4-bromophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid (5-amino-1-brosyl-pyrazol-3-yl) ester Formula: C16H11BrFN3O4S MolecularWeight: 440.243643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C16H11BrFN3O4S/c17-10-5-7-11(8-6-10)26(23,24)21-14(19)9-15(20-21)25-16(22)12-3-1-2-4-13(12)18/h1-9H,19H2