potassium 3-[(2-bromanyl-5-cyano-phenyl)carbamoyl]benzenesulfonate

Systemtic Name: potassium 3-[(2-bromanyl-5-cyano-phenyl)carbamoyl]benzenesulfonate Openeye Name: potassium 3-[(2-bromo-5-cyano-phenyl)carbamoyl]benzenesulfonate CAS Name: potassium 3-[(2-bromo-5-cyanoanilino)-oxomethyl]benzenesulfonate IUPAC Name: potassium 3-[(2-bromo-5-cyanophenyl)carbamoyl]benzenesulfonate Traditional Name: potassium 3-[(2-bromo-5-cyano-phenyl)carbamoyl]besylate Formula: C14H8BrKN2O4S MolecularWeight: 419.29162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)NC2=C(C=CC(=C2)C#N)Br.[K+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)NC2=C(C=CC(=C2)C#N)Br.[K+]

InChI

InChI=1S/C14H9BrN2O4S.K/c15-12-5-4-9(8-16)6-13(12)17-14(18)10-2-1-3-11(7-10)22(19,20)21;/h1-7H,(H,17,18)(H,19,20,21);/q;+1/p-1