2-chloranyl-5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]sulfonyl-4-fluoranyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]sulfonyl-4-fluoranyl-benzoic acid Openeye Name: 2-chloro-5-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]sulfonyl-4-fluoro-benzoic acid CAS Name: 2-chloro-5-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]sulfonyl]-4-fluorobenzoic acid IUPAC Name: 2-chloro-5-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]sulfonyl-4-fluorobenzoic acid Traditional Name: 2-chloro-5-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]sulfonyl-4-fluoro-benzoic acid Formula: C20H18ClFN2O7S MolecularWeight: 484.882523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)C4=C(C=C(C(=C4)C(=O)O)Cl)F

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)C4=C(C=C(C(=C4)C(=O)O)Cl)F

InChI

InChI=1S/C20H18ClFN2O7S/c21-13-10-14(22)18(9-12(13)20(26)27)32(28,29)24-7-5-23(6-8-24)19(25)17-11-30-15-3-1-2-4-16(15)31-17/h1-4,9-10,17H,5-8,11H2,(H,26,27)