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

Systemtic Name: potassium 2-(furan-2-ylmethylamino)-4-(phenylsulfonyl)-5-sulfamoyl-benzenesulfonate Openeye Name: potassium 4-(benzenesulfonyl)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: potassium 4-(benzenesulfonyl)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: potassium 4-(benzenesulfonyl)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: potassium 4-besyl-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C17H15KN2O8S3 MolecularWeight: 510.6029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[K+]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[K+]

InChI

InChI=1S/C17H16N2O8S3.K/c18-29(22,23)17-10-15(30(24,25)26)14(19-11-12-5-4-8-27-12)9-16(17)28(20,21)13-6-2-1-3-7-13;/h1-10,19H,11H2,(H2,18,22,23)(H,24,25,26);/q;+1/p-1