2-chloranyl-5-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]sulfonyl-4-fluoranyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]sulfonyl-4-fluoranyl-benzoic acid Openeye Name: 2-chloro-5-[4-(5-cyano-2-pyridyl)piperazin-1-yl]sulfonyl-4-fluoro-benzoic acid CAS Name: 2-chloro-5-[[4-(5-cyano-2-pyridinyl)-1-piperazinyl]sulfonyl]-4-fluorobenzoic acid IUPAC Name: 2-chloro-5-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]sulfonyl-4-fluorobenzoic acid Traditional Name: 2-chloro-5-[4-(5-cyano-2-pyridyl)piperazino]sulfonyl-4-fluoro-benzoic acid Formula: C17H14ClFN4O4S MolecularWeight: 424.833863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

InChI

InChI=1S/C17H14ClFN4O4S/c18-13-8-14(19)15(7-12(13)17(24)25)28(26,27)23-5-3-22(4-6-23)16-2-1-11(9-20)10-21-16/h1-2,7-8,10H,3-6H2,(H,24,25)