potassium 2-(furan-2-ylmethylamino)-4-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonate

Systemtic Name: potassium 2-(furan-2-ylmethylamino)-4-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonate Openeye Name: potassium 4-(benzylamino)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: potassium 2-(2-furanylmethylamino)-4-[(phenylmethyl)amino]-5-sulfamoylbenzenesulfonate IUPAC Name: potassium 4-(benzylamino)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: potassium 4-(benzylamino)-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C18H18KN3O6S2 MolecularWeight: 475.58032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)[O-])NCC3=CC=CO3.[K+]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)[O-])NCC3=CC=CO3.[K+]

InChI

InChI=1S/C18H19N3O6S2.K/c19-28(22,23)17-10-18(29(24,25)26)16(21-12-14-7-4-8-27-14)9-15(17)20-11-13-5-2-1-3-6-13;/h1-10,20-21H,11-12H2,(H2,19,22,23)(H,24,25,26);/q;+1/p-1