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

Systemtic Name: 2-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3,4-difluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3,4-difluorobenzoyl)piperazino]sulfonylbenzonitrile Formula: C18H15F2N3O3S MolecularWeight: 391.391806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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