4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid; 2-hydroxyethyl(trimethyl)azanium Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid; 2-hydroxyethyl(trimethyl)ammonium CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid; 2-hydroxyethyl(trimethyl)ammonium Formula: C17H25ClN3O6S+ MolecularWeight: 434.9149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O5S.C5H14NO/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;1-6(2,3)4-5-7/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);7H,4-5H2,1-3H3/q;+1