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

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid; furan-2-ylmethanamine Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid; 2-furylmethanamine CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid; 2-furanylmethanamine IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid; furan-2-ylmethanamine Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid; 2-furfurylamine Formula: C17H18ClN3O6S MolecularWeight: 427.85932

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=COC(=C1)CN.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C12H11ClN2O5S.C5H7NO/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;6-4-5-2-1-3-7-5/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);1-3H,4,6H2