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

Systemtic Name: 4-(3-chloranylphenoxy)-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-(3-chlorophenoxy)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-(3-chlorophenoxy)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-(3-chlorophenoxy)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-(3-chlorophenoxy)-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C17H15ClN2O7S2 MolecularWeight: 458.8932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O7S2/c18-11-3-1-4-12(7-11)27-15-8-14(20-10-13-5-2-6-26-13)16(29(23,24)25)9-17(15)28(19,21)22/h1-9,20H,10H2,(H2,19,21,22)(H,23,24,25)