sodium 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: sodium 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: sodium 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: sodium 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: sodium 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: sodium 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid Formula: C12H11ClN2NaO5S+ MolecularWeight: 353.73391

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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.[Na+]

Isomeric SMILES

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

InChI

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