4-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C18H15F2N3O3S MolecularWeight: 391.391806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C18H15F2N3O3S/c19-15-2-1-3-16(20)17(15)27(25,26)23-10-8-22(9-11-23)18(24)14-6-4-13(12-21)5-7-14/h1-7H,8-11H2