4-[[4-(3-chloranyl-2-fluoranyl-phenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-chloranyl-2-fluoranyl-phenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chloro-2-fluoro-phenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(3-chloro-2-fluorophenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-chloro-2-fluoro-phenyl)sulfonylpiperazino]methyl]benzonitrile Formula: C18H17ClFN3O2S MolecularWeight: 393.862883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=C(C(=CC=C3)Cl)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C18H17ClFN3O2S/c19-16-2-1-3-17(18(16)20)26(24,25)23-10-8-22(9-11-23)13-15-6-4-14(12-21)5-7-15/h1-7H,8-11,13H2