2-chloranyl-4-fluoranyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-4-fluoranyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-chloro-4-fluoro-5-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-chloro-4-fluoro-5-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-chloro-4-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2-chloro-4-fluoro-5-[4-(2-pyridyl)piperazino]sulfonyl-benzoic acid Formula: C16H15ClFN3O4S MolecularWeight: 399.824403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClFN3O4S/c17-12-10-13(18)14(9-11(12)16(22)23)26(24,25)21-7-5-20(6-8-21)15-3-1-2-4-19-15/h1-4,9-10H,5-8H2,(H,22,23)