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

Systemtic Name: 4-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 4-[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=C(C=C2)C#N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

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