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

Systemtic Name: 4-[3-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]benzonitrile CAS Name: 4-[3-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-3-keto-propyl]benzonitrile Formula: C20H19ClFN3O3S MolecularWeight: 435.899563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H19ClFN3O3S/c21-18-13-17(6-7-19(18)22)29(27,28)25-11-9-24(10-12-25)20(26)8-5-15-1-3-16(14-23)4-2-15/h1-4,6-7,13H,5,8-12H2