4-(cyclobutylmethylsulfonyl)-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 4-(cyclobutylmethylsulfonyl)-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-(cyclobutylmethylsulfonyl)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-(cyclobutylmethylsulfonyl)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-(cyclobutylmethylsulfonyl)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-(cyclobutylmethylsulfonyl)-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C16H20N2O8S3 MolecularWeight: 464.5336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CS(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

C1CC(C1)CS(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C16H20N2O8S3/c17-28(21,22)16-8-14(29(23,24)25)13(18-9-12-5-2-6-26-12)7-15(16)27(19,20)10-11-3-1-4-11/h2,5-8,11,18H,1,3-4,9-10H2,(H2,17,21,22)(H,23,24,25)