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

Systemtic Name: (4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methyl 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: (4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methyl 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid (4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methyl ester IUPAC Name: (4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid (4-methyl-5-oxido-furazan-5-ium-3-yl)methyl ester Formula: C16H15ClN4O7S MolecularWeight: 442.8309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](ON=C1COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N)[O-]

Isomeric SMILES

CC1=[N+](ON=C1COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N)[O-]

InChI

InChI=1S/C16H15ClN4O7S/c1-9-14(20-28-21(9)23)8-27-16(22)11-5-15(29(18,24)25)12(17)6-13(11)19-7-10-3-2-4-26-10/h2-6,19H,7-8H2,1H3,(H2,18,24,25)