2-(furan-2-ylmethylamino)-4-(3-methoxyphenoxy)-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-(3-methoxyphenoxy)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(2-furylmethylamino)-4-(3-methoxyphenoxy)-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-(2-furanylmethylamino)-4-(3-methoxyphenoxy)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-(3-methoxyphenoxy)-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(2-furfurylamino)-4-(3-methoxyphenoxy)-5-sulfamoyl-besylic acid Formula: C18H18N2O8S2 MolecularWeight: 454.47412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)OC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C18H18N2O8S2/c1-26-12-4-2-5-13(8-12)28-16-9-15(20-11-14-6-3-7-27-14)17(30(23,24)25)10-18(16)29(19,21)22/h2-10,20H,11H2,1H3,(H2,19,21,22)(H,23,24,25)