but-3-en-2-one; 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: but-3-en-2-one; 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: but-3-en-2-one; 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 3-buten-2-one; 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: but-3-en-2-one; 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: but-3-en-2-one; 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid Formula: C16H17ClN2O6S MolecularWeight: 400.83398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O5S.C4H6O/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;1-3-4(2)5/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);3H,1H2,2H3