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

Systemtic Name: 4-cyclohexylsulfonyl-2-(furan-3-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-cyclohexylsulfonyl-2-(3-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-cyclohexylsulfonyl-2-(3-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-cyclohexylsulfonyl-2-(furan-3-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-cyclohexylsulfonyl-2-(3-furfurylamino)-5-sulfamoyl-besylic acid Formula: C17H22N2O8S3 MolecularWeight: 478.56018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=COC=C3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=COC=C3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C17H22N2O8S3/c18-29(22,23)17-9-15(30(24,25)26)14(19-10-12-6-7-27-11-12)8-16(17)28(20,21)13-4-2-1-3-5-13/h6-9,11,13,19H,1-5,10H2,(H2,18,22,23)(H,24,25,26)