4-butan-2-ylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 4-butan-2-ylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(2-furylmethylamino)-4-sec-butylsulfonyl-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-butan-2-ylsulfonyl-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-butan-2-ylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(2-furfurylamino)-4-sec-butylsulfonyl-5-sulfamoyl-besylic acid Formula: C15H20N2O8S3 MolecularWeight: 452.5229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

CCC(C)S(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C15H20N2O8S3/c1-3-10(2)26(18,19)14-7-12(17-9-11-5-4-6-25-11)13(28(22,23)24)8-15(14)27(16,20)21/h4-8,10,17H,3,9H2,1-2H3,(H2,16,20,21)(H,22,23,24)