[5-azanyl-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 3-bromanylbenzoate

Systemtic Name: [5-azanyl-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 3-bromanylbenzoate Openeye Name: [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [5-amino-1-(4-fluorophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] ester Formula: C16H11BrFN3O4S MolecularWeight: 440.243643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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