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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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