4-fluoranyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 4-fluoranyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 4-fluoro-3-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 4-fluoro-3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 4-fluoro-3-[4-(2-pyridyl)piperazino]sulfonyl-benzoic acid Formula: C16H16FN3O4S MolecularWeight: 365.379343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

InChI

InChI=1S/C16H16FN3O4S/c17-13-5-4-12(16(21)22)11-14(13)25(23,24)20-9-7-19(8-10-20)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,21,22)