2-[4-[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[4-(difluoromethylthio)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(difluoromethylthio)benzoyl]piperazino]sulfonylbenzonitrile Formula: C19H17F2N3O3S2 MolecularWeight: 437.483386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)SC(F)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)SC(F)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H17F2N3O3S2/c20-19(21)28-16-7-5-14(6-8-16)18(25)23-9-11-24(12-10-23)29(26,27)17-4-2-1-3-15(17)13-22/h1-8,19H,9-12H2