2,4-bis(chloranyl)-5-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2,4-dichloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2,4-dichloro-5-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2,4-dichloro-5-[4-(2-furoyl)piperazino]sulfonyl-benzoic acid Formula: C16H14Cl2N2O6S MolecularWeight: 433.26316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C16H14Cl2N2O6S/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/h1-2,7-9H,3-6H2,(H,22,23)