potassium 3,5-bis(chloranyl)-4-[4-isocyano-5-(methylsulfonylamino)pyrazol-1-yl]benzenesulfonate

Systemtic Name: potassium 3,5-bis(chloranyl)-4-[4-isocyano-5-(methylsulfonylamino)pyrazol-1-yl]benzenesulfonate Openeye Name: potassium 3,5-dichloro-4-[4-isocyano-5-(methanesulfonamido)pyrazol-1-yl]benzenesulfonate CAS Name: potassium 3,5-dichloro-4-[4-isocyano-5-(methanesulfonamido)-1-pyrazolyl]benzenesulfonate IUPAC Name: potassium 3,5-dichloro-4-[4-isocyano-5-(methanesulfonamido)pyrazol-1-yl]benzenesulfonate Traditional Name: potassium 3,5-dichloro-4-[4-isocyano-5-(methanesulfonamido)pyrazol-1-yl]besylate Formula: C11H7Cl2KN4O5S2 MolecularWeight: 449.33138

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=NN1C2=C(C=C(C=C2Cl)S(=O)(=O)[O-])Cl)[N+]#[C-].[K+]

Isomeric SMILES

CS(=O)(=O)NC1=C(C=NN1C2=C(C=C(C=C2Cl)S(=O)(=O)[O-])Cl)[N+]#[C-].[K+]

InChI

InChI=1S/C11H8Cl2N4O5S2.K/c1-14-9-5-15-17(11(9)16-23(2,18)19)10-7(12)3-6(4-8(10)13)24(20,21)22;/h3-5,16H,2H3,(H,20,21,22);/q;+1/p-1