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

Systemtic Name: 2-cyclohexylsulfonyl-4-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-cyclohexylsulfonyl-4-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-cyclohexylsulfonyl-4-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-cyclohexylsulfonyl-4-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-cyclohexylsulfonyl-4-(2-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=CC=CO3)S(=O)(=O)N)S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)N)S(=O)(=O)O

InChI

InChI=1S/C17H22N2O8S3/c18-29(22,23)15-10-17(30(24,25)26)16(28(20,21)13-6-2-1-3-7-13)9-14(15)19-11-12-5-4-8-27-12/h4-5,8-10,13,19H,1-3,6-7,11H2,(H2,18,22,23)(H,24,25,26)