4-chloranyl-6-(furan-2-ylmethylamino)-2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-3-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-6-(furan-2-ylmethylamino)-2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-3-sulfamoyl-benzoic acid Openeye Name: 4-chloro-6-(2-furylmethylamino)-2-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-3-sulfamoyl-benzoic acid CAS Name: 4-chloro-6-(2-furanylmethylamino)-2-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3-sulfamoylbenzoic acid IUPAC Name: 4-chloro-6-(furan-2-ylmethylamino)-2-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3-sulfamoylbenzoic acid Traditional Name: 4-chloro-6-(2-furfurylamino)-2-[(E)-3-hydroxy-3-keto-prop-1-enyl]-3-sulfamoyl-benzoic acid Formula: C15H13ClN2O7S MolecularWeight: 400.79092

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=CC(=C(C(=C2C(=O)O)C=CC(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=COC(=C1)CNC2=CC(=C(C(=C2C(=O)O)/C=C/C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C15H13ClN2O7S/c16-10-6-11(18-7-8-2-1-5-25-8)13(15(21)22)9(3-4-12(19)20)14(10)26(17,23)24/h1-6,18H,7H2,(H,19,20)(H,21,22)(H2,17,23,24)/b4-3+