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

Systemtic Name: 2-chloranyl-4-fluoranyl-5-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-chloro-4-fluoro-5-[4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-chloro-4-fluoro-5-[[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-chloro-4-fluoro-5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-chloro-4-fluoro-5-[4-(tetrahydrofuran-2-carbonyl)piperazino]sulfonyl-benzoic acid Formula: C16H18ClFN2O6S MolecularWeight: 420.840323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

Isomeric SMILES

C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

InChI

InChI=1S/C16H18ClFN2O6S/c17-11-9-12(18)14(8-10(11)16(22)23)27(24,25)20-5-3-19(4-6-20)15(21)13-2-1-7-26-13/h8-9,13H,1-7H2,(H,22,23)