[2-(4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate

Systemtic Name: [2-(4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: [2-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)-2-oxo-ethyl] 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid [2-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)-2-oxoethyl] 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid [2-keto-2-(4-methyl-5-oxido-furazan-5-ium-3-yl)ethyl] ester Formula: C17H15ClN4O8S MolecularWeight: 470.841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](ON=C1C(=O)COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N)[O-]

Isomeric SMILES

CC1=[N+](ON=C1C(=O)COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N)[O-]

InChI

InChI=1S/C17H15ClN4O8S/c1-9-16(21-30-22(9)25)14(23)8-29-17(24)11-5-15(31(19,26)27)12(18)6-13(11)20-7-10-3-2-4-28-10/h2-6,20H,7-8H2,1H3,(H2,19,26,27)