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

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid Formula: C24H22Cl2N4O10S2 MolecularWeight: 661.48828

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H11ClN2O5S/c2*13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h2*1-5,15H,6H2,(H,16,17)(H2,14,18,19)