2-(furan-2-ylmethylamino)-4-[methyl-(4-methylphenyl)amino]-5-sulfamoyl-benzenesulfonic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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