(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)azanium; 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate

Systemtic Name: (5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)azanium; 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: (5-amino-6-hydroxy-6-oxo-hexyl)ammonium; 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: (5-amino-6-hydroxy-6-oxohexyl)ammonium; 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoate IUPAC Name: (5-amino-6-hydroxy-6-oxohexyl)azanium; 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate Traditional Name: (5-amino-6-hydroxy-6-keto-hexyl)ammonium; 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoate Formula: C18H25ClN4O7S MolecularWeight: 476.9317

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.C(CC[NH3+])CC(C(=O)O)N

Isomeric SMILES

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl.C(CC[NH3+])CC(C(=O)O)N

InChI

InChI=1S/C12H11ClN2O5S.C6H14N2O2/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;7-4-2-1-3-5(8)6(9)10/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);5H,1-4,7-8H2,(H,9,10)