4-(3-chloranylphenoxy)-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(3-chloranylphenoxy)-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-(3-chlorophenoxy)-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(3-chlorophenoxy)-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-(3-chlorophenoxy)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(3-chlorophenoxy)-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid Formula: C18H15ClN2O6S MolecularWeight: 422.8395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OC2=C(C=C(C(=C2)NCC3=CC=CO3)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OC2=C(C=C(C(=C2)NCC3=CC=CO3)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C18H15ClN2O6S/c19-11-3-1-4-12(7-11)27-16-9-15(21-10-13-5-2-6-26-13)14(18(22)23)8-17(16)28(20,24)25/h1-9,21H,10H2,(H,22,23)(H2,20,24,25)