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

Systemtic Name: 3-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C18H15ClFN3O3S MolecularWeight: 407.846403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClFN3O3S/c19-16-11-15(4-5-17(16)20)27(25,26)23-8-6-22(7-9-23)18(24)14-3-1-2-13(10-14)12-21/h1-5,10-11H,6-9H2