sodium 2-chloranyl-4-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 2-chloranyl-4-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 2-chloro-4-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 2-chloro-4-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 2-chloro-4-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 2-chloro-4-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C11H10ClN2NaO6S2 MolecularWeight: 388.77967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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