2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile

Systemtic Name: 2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile Openeye Name: 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile CAS Name: 2-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methylsulfonyl]acetonitrile IUPAC Name: 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile Traditional Name: 2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzyl]sulfonylacetonitrile Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

InChI

InChI=1S/C20H20FN3O3S/c21-18-5-7-19(8-6-18)23-10-12-24(13-11-23)20(25)17-3-1-16(2-4-17)15-28(26,27)14-9-22/h1-8H,10-15H2