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

Systemtic Name: potassium 2-(furan-2-ylmethylamino)-4-pentylsulfonyl-5-sulfamoyl-benzenesulfonate Openeye Name: potassium 2-(2-furylmethylamino)-4-pentylsulfonyl-5-sulfamoyl-benzenesulfonate CAS Name: potassium 2-(2-furanylmethylamino)-4-pentylsulfonyl-5-sulfamoylbenzenesulfonate IUPAC Name: potassium 2-(furan-2-ylmethylamino)-4-pentylsulfonyl-5-sulfamoylbenzenesulfonate Traditional Name: potassium 4-amylsulfonyl-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C16H21KN2O8S3 MolecularWeight: 504.63984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O8S3.K/c1-2-3-4-8-27(19,20)15-9-13(18-11-12-6-5-7-26-12)14(29(23,24)25)10-16(15)28(17,21)22;/h5-7,9-10,18H,2-4,8,11H2,1H3,(H2,17,21,22)(H,23,24,25);/q;+1/p-1