potassium 4-[(3Z)-3-[(E)-3-[2-(2-hydroxyethyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]prop-2-enylidene]-5-isocyano-4-methyl-2,6-bis(oxidanylidene)pyridin-1-yl]benzenesulfonate

Systemtic Name: potassium 4-[(3Z)-3-[(E)-3-[2-(2-hydroxyethyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]prop-2-enylidene]-5-isocyano-4-methyl-2,6-bis(oxidanylidene)pyridin-1-yl]benzenesulfonate Openeye Name: potassium 4-[(3Z)-3-[(E)-3-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-isocyano-4-methyl-2,6-dioxo-1-pyridyl]benzenesulfonate CAS Name: potassium 4-[(3Z)-3-[(E)-3-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-isocyano-4-methyl-2,6-dioxo-1-pyridinyl]benzenesulfonate IUPAC Name: potassium 4-[(3Z)-3-[(E)-3-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-isocyano-4-methyl-2,6-dioxopyridin-1-yl]benzenesulfonate Traditional Name: potassium 4-[(3Z)-3-[(E)-3-[1-(2-hydroxyethyl)-5-keto-3-methyl-3-pyrazolin-4-yl]prop-2-enylidene]-5-isocyano-2,6-diketo-4-methyl-1-pyridyl]besylate Formula: C22H19KN4O7S MolecularWeight: 522.57216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)C1=CC=CC2=C(NN(C2=O)CCO)C)C3=CC=C(C=C3)S(=O)(=O)[O-])[N+]#[C-].[K+]

Isomeric SMILES

CC\1=C(C(=O)N(C(=O)/C1=C\C=C\C2=C(NN(C2=O)CCO)C)C3=CC=C(C=C3)S(=O)(=O)[O-])[N+]#[C-].[K+]

InChI

InChI=1S/C22H20N4O7S.K/c1-13-17(5-4-6-18-14(2)24-25(11-12-27)20(18)28)21(29)26(22(30)19(13)23-3)15-7-9-16(10-8-15)34(31,32)33;/h4-10,24,27H,11-12H2,1-2H3,(H,31,32,33);/q;+1/p-1/b6-4+,17-5-;