4-[(4-acetamidophenyl)amino]-2-(furan-3-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-acetamidophenyl)amino]-2-(furan-3-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-acetamidoanilino)-2-(3-furylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-acetamidoanilino)-2-(3-furanylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-acetamidoanilino)-2-(furan-3-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-acetamidoanilino)-2-(3-furfurylamino)-5-sulfamoyl-benzoic acid Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C(=C2)NCC3=COC=C3)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C(=C2)NCC3=COC=C3)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C20H20N4O6S/c1-12(25)23-14-2-4-15(5-3-14)24-18-9-17(22-10-13-6-7-30-11-13)16(20(26)27)8-19(18)31(21,28)29/h2-9,11,22,24H,10H2,1H3,(H,23,25)(H,26,27)(H2,21,28,29)