2-[4-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-chloro-6-fluoro-phenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-chloro-6-fluoro-phenyl)acetyl]piperazino]sulfonylbenzonitrile Formula: C19H17ClFN3O3S MolecularWeight: 421.872983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H17ClFN3O3S/c20-16-5-3-6-17(21)15(16)12-19(25)23-8-10-24(11-9-23)28(26,27)18-7-2-1-4-14(18)13-22/h1-7H,8-12H2