5-[[4-chloranyl-3-(furan-2-ylcarbonylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-chloranyl-3-(furan-2-ylcarbonylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-chloro-3-(furan-2-carbonylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-chloro-3-[[2-furanyl(oxo)methyl]amino]phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-chloro-3-(furan-2-carbonylamino)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-chloro-3-(2-furoylamino)phenyl]sulfonylamino]isophthalic acid Formula: C19H13ClN2O8S MolecularWeight: 464.83312

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C19H13ClN2O8S/c20-14-4-3-13(9-15(14)21-17(23)16-2-1-5-30-16)31(28,29)22-12-7-10(18(24)25)6-11(8-12)19(26)27/h1-9,22H,(H,21,23)(H,24,25)(H,26,27)