2-(furan-2-ylmethylamino)-4-[methyl(phenyl)amino]-5-(methylsulfamoyl)benzenesulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=C(C(=C1)S(=O)(=O)O)NCC2=CC=CO2)N(C)C3=CC=CC=C3

Isomeric SMILES

CNS(=O)(=O)C1=C(C=C(C(=C1)S(=O)(=O)O)NCC2=CC=CO2)N(C)C3=CC=CC=C3

InChI

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