3-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2,4-difluorophenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2,4-difluorophenyl)piperazino]sulfonylbenzonitrile Formula: C17H15F2N3O2S MolecularWeight: 363.381706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H15F2N3O2S/c18-14-4-5-17(16(19)11-14)21-6-8-22(9-7-21)25(23,24)15-3-1-2-13(10-15)12-20/h1-5,10-11H,6-9H2