potassium 2-(furan-2-ylmethylamino)-4-(3-methylphenoxy)-5-sulfamoyl-benzenesulfonate

Systemtic Name: potassium 2-(furan-2-ylmethylamino)-4-(3-methylphenoxy)-5-sulfamoyl-benzenesulfonate Openeye Name: potassium 2-(2-furylmethylamino)-4-(3-methylphenoxy)-5-sulfamoyl-benzenesulfonate CAS Name: potassium 2-(2-furanylmethylamino)-4-(3-methylphenoxy)-5-sulfamoylbenzenesulfonate IUPAC Name: potassium 2-(furan-2-ylmethylamino)-4-(3-methylphenoxy)-5-sulfamoylbenzenesulfonate Traditional Name: potassium 2-(2-furfurylamino)-4-(3-methylphenoxy)-5-sulfamoyl-besylate Formula: C18H17KN2O7S2 MolecularWeight: 476.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[K+]

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[K+]

InChI

InChI=1S/C18H18N2O7S2.K/c1-12-4-2-5-13(8-12)27-16-9-15(20-11-14-6-3-7-26-14)17(29(23,24)25)10-18(16)28(19,21)22;/h2-10,20H,11H2,1H3,(H2,19,21,22)(H,23,24,25);/q;+1/p-1