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

Systemtic Name: potassium 4-cyclooctylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: potassium 4-cyclooctylsulfonyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: potassium 4-cyclooctylsulfonyl-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: potassium 4-cyclooctylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: potassium 4-cyclooctylsulfonyl-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C19H25KN2O8S3 MolecularWeight: 544.7037

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[K+]

Isomeric SMILES

C1CCCC(CCC1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[K+]

InChI

InChI=1S/C19H26N2O8S3.K/c20-31(24,25)19-12-17(32(26,27)28)16(21-13-14-7-6-10-29-14)11-18(19)30(22,23)15-8-4-2-1-3-5-9-15;/h6-7,10-12,15,21H,1-5,8-9,13H2,(H2,20,24,25)(H,26,27,28);/q;+1/p-1