2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile CAS Name: 2-(benzenesulfonyl)-2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile Traditional Name: 2-besyl-2-[3-[4-(4-fluorophenyl)piperazino]quinoxalin-2-yl]acetonitrile Formula: C26H22FN5O2S MolecularWeight: 487.548583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H22FN5O2S/c27-19-10-12-20(13-11-19)31-14-16-32(17-15-31)26-25(29-22-8-4-5-9-23(22)30-26)24(18-28)35(33,34)21-6-2-1-3-7-21/h1-13,24H,14-17H2