potassium 4-butylsulfanyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate

Systemtic Name: potassium 4-butylsulfanyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: potassium 4-butylsulfanyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: potassium 4-(butylthio)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: potassium 4-butylsulfanyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: potassium 4-(butylthio)-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C15H19KN2O6S3 MolecularWeight: 458.61446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)[O-])S(=O)(=O)N.[K+]

Isomeric SMILES

CCCCSC1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)[O-])S(=O)(=O)N.[K+]

InChI

InChI=1S/C15H20N2O6S3.K/c1-2-3-7-24-13-8-12(17-10-11-5-4-6-23-11)14(26(20,21)22)9-15(13)25(16,18)19;/h4-6,8-9,17H,2-3,7,10H2,1H3,(H2,16,18,19)(H,20,21,22);/q;+1/p-1