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

Systemtic Name: sodium (2-chloranyl-4-fluoranyl-phenyl)carbonyl-[6-(4-phenylpiperazin-1-yl)pyridin-3-yl]sulfonyl-azanide Openeye Name: sodium (2-chloro-4-fluoro-benzoyl)-[[6-(4-phenylpiperazin-1-yl)-3-pyridyl]sulfonyl]azanide CAS Name: sodium [(2-chloro-4-fluorophenyl)-oxomethyl]-[[6-(4-phenyl-1-piperazinyl)-3-pyridinyl]sulfonyl]azanide IUPAC Name: sodium (2-chloro-4-fluorobenzoyl)-[6-(4-phenylpiperazin-1-yl)pyridin-3-yl]sulfonylazanide Traditional Name: sodium (2-chloro-4-fluoro-benzoyl)-[[6-(4-phenylpiperazino)-3-pyridyl]sulfonyl]azanide Formula: C22H19ClFN4NaO3S MolecularWeight: 496.917433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN4O3S.Na/c23-20-14-16(24)6-8-19(20)22(29)26-32(30,31)18-7-9-21(25-15-18)28-12-10-27(11-13-28)17-4-2-1-3-5-17;/h1-9,14-15H,10-13H2,(H,26,29);/q;+1/p-1