4-[ethyl(phenyl)amino]-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 4-[ethyl(phenyl)amino]-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-(N-ethylanilino)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-(N-ethylanilino)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-(N-ethylanilino)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-(N-ethylanilino)-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S2/c1-2-22(14-7-4-3-5-8-14)17-11-16(21-13-15-9-6-10-28-15)18(30(25,26)27)12-19(17)29(20,23)24/h3-12,21H,2,13H2,1H3,(H2,20,23,24)(H,25,26,27)