4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate; furan-2-ylmethylazanium

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate; furan-2-ylmethylazanium Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate; 2-furylmethylammonium CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate; 2-furanylmethylammonium IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate; furan-2-ylmethylazanium Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-besylate; 2-furfurylammonium Formula: C16H18ClN3O7S2 MolecularWeight: 463.91302

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C[NH3+].C1=COC(=C1)CNC2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)Cl

Isomeric SMILES

C1=COC(=C1)C[NH3+].C1=COC(=C1)CNC2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)Cl

InChI

InChI=1S/C11H11ClN2O6S2.C5H7NO/c12-8-4-9(14-6-7-2-1-3-20-7)11(22(17,18)19)5-10(8)21(13,15)16;6-4-5-2-1-3-7-5/h1-5,14H,6H2,(H2,13,15,16)(H,17,18,19);1-3H,4,6H2