sodium (2-chloranyl-4-fluoranyl-phenyl)carbonyl-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-3-yl]sulfonyl-azanide

Systemtic Name: sodium (2-chloranyl-4-fluoranyl-phenyl)carbonyl-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-3-yl]sulfonyl-azanide Openeye Name: sodium (2-chloro-4-fluoro-benzoyl)-[[6-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]sulfonyl]azanide CAS Name: sodium [(2-chloro-4-fluorophenyl)-oxomethyl]-[[6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinyl]sulfonyl]azanide IUPAC Name: sodium (2-chloro-4-fluorobenzoyl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-3-yl]sulfonylazanide Traditional Name: sodium (2-chloro-4-fluoro-benzoyl)-[[6-[4-(2-pyridyl)piperazino]-3-pyridyl]sulfonyl]azanide Formula: C21H18ClFN5NaO3S MolecularWeight: 497.905493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)[N-]C(=O)C3=C(C=C(C=C3)F)Cl)C4=CC=CC=N4.[Na+]

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)[N-]C(=O)C3=C(C=C(C=C3)F)Cl)C4=CC=CC=N4.[Na+]

InChI

InChI=1S/C21H19ClFN5O3S.Na/c22-18-13-15(23)4-6-17(18)21(29)26-32(30,31)16-5-7-20(25-14-16)28-11-9-27(10-12-28)19-3-1-2-8-24-19;/h1-8,13-14H,9-12H2,(H,26,29);/q;+1/p-1