3-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C18H15F2N3O3S MolecularWeight: 391.391806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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