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

Systemtic Name: 4-cyclooctylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-cyclooctylsulfonyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-cyclooctylsulfonyl-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-cyclooctylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-cyclooctylsulfonyl-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C19H26N2O8S3 MolecularWeight: 506.61334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

C1CCCC(CCC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C19H26N2O8S3/c20-31(24,25)19-12-17(32(26,27)28)16(21-13-14-7-6-10-29-14)11-18(19)30(22,23)15-8-4-2-1-3-5-9-15/h6-7,10-12,15,21H,1-5,8-9,13H2,(H2,20,24,25)(H,26,27,28)