potassium 4-tert-butylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate

Systemtic Name: potassium 4-tert-butylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: potassium 4-tert-butylsulfonyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: potassium 4-tert-butylsulfonyl-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: potassium 4-tert-butylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: potassium 4-tert-butylsulfonyl-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C15H19KN2O8S3 MolecularWeight: 490.61326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)[O-])S(=O)(=O)N.[K+]

Isomeric SMILES

CC(C)(C)S(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)[O-])S(=O)(=O)N.[K+]

InChI

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