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

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]benzonitrile Formula: C17H15ClFN3O2S MolecularWeight: 379.836303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H15ClFN3O2S/c18-15-11-14(5-6-16(15)19)25(23,24)22-9-7-21(8-10-22)17-4-2-1-3-13(17)12-20/h1-6,11H,7-10H2