(2R)-2-(4-fluorophenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanenitrile

Systemtic Name: (2R)-2-(4-fluorophenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanenitrile Openeye Name: (2R)-2-(4-fluorophenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile CAS Name: (2R)-2-(4-fluorophenyl)sulfonyl-2-[3-(4-phenyl-1-piperazinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2R)-2-(4-fluorophenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile Traditional Name: (2R)-2-(4-fluorophenyl)sulfonyl-2-[3-(4-phenylpiperazino)quinoxalin-2-yl]acetonitrile Formula: C26H22FN5O2S MolecularWeight: 487.548583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3[C@H](C#N)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H22FN5O2S/c27-19-10-12-21(13-11-19)35(33,34)24(18-28)25-26(30-23-9-5-4-8-22(23)29-25)32-16-14-31(15-17-32)20-6-2-1-3-7-20/h1-13,24H,14-17H2/t24-/m0/s1