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

Systemtic Name: 5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)-4-[methyl(phenyl)amino]benzenesulfonic acid Openeye Name: 5-(dimethylsulfamoyl)-2-(2-furylmethylamino)-4-(N-methylanilino)benzenesulfonic acid CAS Name: 5-(dimethylsulfamoyl)-2-(2-furanylmethylamino)-4-(N-methylanilino)benzenesulfonic acid IUPAC Name: 5-(dimethylsulfamoyl)-2-(furan-2-ylmethylamino)-4-(N-methylanilino)benzenesulfonic acid Traditional Name: 5-(dimethylsulfamoyl)-2-(2-furfurylamino)-4-(N-methylanilino)besylic acid Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S2/c1-22(2)30(24,25)20-13-19(31(26,27)28)17(21-14-16-10-7-11-29-16)12-18(20)23(3)15-8-5-4-6-9-15/h4-13,21H,14H2,1-3H3,(H,26,27,28)