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

Systemtic Name: 2-chloranyl-5-[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]sulfonyl-4-fluoranyl-benzoic acid Openeye Name: 2-chloro-5-[4-(2-ethoxy-2-oxo-ethyl)piperazin-1-yl]sulfonyl-4-fluoro-benzoic acid CAS Name: 2-chloro-5-[[4-(2-ethoxy-2-oxoethyl)-1-piperazinyl]sulfonyl]-4-fluorobenzoic acid IUPAC Name: 2-chloro-5-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]sulfonyl-4-fluorobenzoic acid Traditional Name: 2-chloro-5-[4-(2-ethoxy-2-keto-ethyl)piperazino]sulfonyl-4-fluoro-benzoic acid Formula: C15H18ClFN2O6S MolecularWeight: 408.829623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)F

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)F

InChI

InChI=1S/C15H18ClFN2O6S/c1-2-25-14(20)9-18-3-5-19(6-4-18)26(23,24)13-7-10(15(21)22)11(16)8-12(13)17/h7-8H,2-6,9H2,1H3,(H,21,22)