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

Systemtic Name: potassium 2-(furan-2-ylmethylamino)-4-octylsulfonyl-5-sulfamoyl-benzenesulfonate Openeye Name: potassium 2-(2-furylmethylamino)-4-octylsulfonyl-5-sulfamoyl-benzenesulfonate CAS Name: potassium 2-(2-furanylmethylamino)-4-octylsulfonyl-5-sulfamoylbenzenesulfonate IUPAC Name: potassium 2-(furan-2-ylmethylamino)-4-octylsulfonyl-5-sulfamoylbenzenesulfonate Traditional Name: potassium 2-(2-furfurylamino)-4-octylsulfonyl-5-sulfamoyl-besylate Formula: C19H27KN2O8S3 MolecularWeight: 546.71958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O8S3.K/c1-2-3-4-5-6-7-11-30(22,23)18-12-16(21-14-15-9-8-10-29-15)17(32(26,27)28)13-19(18)31(20,24)25;/h8-10,12-13,21H,2-7,11,14H2,1H3,(H2,20,24,25)(H,26,27,28);/q;+1/p-1