potassium 2-(furan-2-ylmethylamino)-4-(phenylmethyl)sulfonyl-5-sulfamoyl-benzenesulfonate

Systemtic Name: potassium 2-(furan-2-ylmethylamino)-4-(phenylmethyl)sulfonyl-5-sulfamoyl-benzenesulfonate Openeye Name: potassium 4-benzylsulfonyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: potassium 2-(2-furanylmethylamino)-4-(phenylmethyl)sulfonyl-5-sulfamoylbenzenesulfonate IUPAC Name: potassium 4-benzylsulfonyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: potassium 4-benzylsulfonyl-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C18H17KN2O8S3 MolecularWeight: 524.62948

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H18N2O8S3.K/c19-30(23,24)18-10-16(31(25,26)27)15(20-11-14-7-4-8-28-14)9-17(18)29(21,22)12-13-5-2-1-3-6-13;/h1-10,20H,11-12H2,(H2,19,23,24)(H,25,26,27);/q;+1/p-1