2-[4-[2-chloranyl-4,5-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-chloranyl-4,5-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-chloro-4,5-difluoro-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-chloro-4,5-difluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-chloro-4,5-difluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-chloro-4,5-difluoro-benzoyl)piperazino]sulfonylbenzonitrile Formula: C18H14ClF2N3O3S MolecularWeight: 425.836866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=C(C=C2Cl)F)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=C(C=C2Cl)F)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H14ClF2N3O3S/c19-14-10-16(21)15(20)9-13(14)18(25)23-5-7-24(8-6-23)28(26,27)17-4-2-1-3-12(17)11-22/h1-4,9-10H,5-8H2