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

Systemtic Name: 4-[(4-chlorophenyl)-methyl-amino]-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-(4-chloro-N-methyl-anilino)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-(4-chloro-N-methylanilino)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-(4-chloro-N-methylanilino)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-(4-chloro-N-methyl-anilino)-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C18H18ClN3O6S2 MolecularWeight: 471.93502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O6S2/c1-22(13-6-4-12(19)5-7-13)16-9-15(21-11-14-3-2-8-28-14)17(30(25,26)27)10-18(16)29(20,23)24/h2-10,21H,11H2,1H3,(H2,20,23,24)(H,25,26,27)