4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butanenitrile

Systemtic Name: 4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butanenitrile Openeye Name: 4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butanenitrile CAS Name: 4-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butanenitrile Traditional Name: 4-[4-(3-fluorophenyl)sulfonylpiperazino]butyronitrile Formula: C14H18FN3O2S MolecularWeight: 311.375023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC#N)S(=O)(=O)C2=CC=CC(=C2)F

Isomeric SMILES

C1CN(CCN1CCCC#N)S(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C14H18FN3O2S/c15-13-4-3-5-14(12-13)21(19,20)18-10-8-17(9-11-18)7-2-1-6-16/h3-5,12H,1-2,7-11H2