2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]nicotinonitrile Formula: C16H14ClFN4O2S MolecularWeight: 380.824363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H14ClFN4O2S/c17-14-10-13(3-4-15(14)18)25(23,24)22-8-6-21(7-9-22)16-12(11-19)2-1-5-20-16/h1-5,10H,6-9H2