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

Systemtic Name: 4-(3,4-dimethylphenoxy)-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-(3,4-dimethylphenoxy)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-(3,4-dimethylphenoxy)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-(3,4-dimethylphenoxy)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-(3,4-dimethylphenoxy)-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C19H20N2O7S2 MolecularWeight: 452.5013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N)C

InChI

InChI=1S/C19H20N2O7S2/c1-12-5-6-14(8-13(12)2)28-17-9-16(21-11-15-4-3-7-27-15)18(30(24,25)26)10-19(17)29(20,22)23/h3-10,21H,11H2,1-2H3,(H2,20,22,23)(H,24,25,26)