2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-ethanenitrile

Systemtic Name: 2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-ethanenitrile Openeye Name: 2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile CAS Name: 2-[3-(4-phenyl-1-piperazinyl)-2-quinoxalinyl]-2-thiophen-2-ylsulfonylacetonitrile IUPAC Name: 2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile Traditional Name: 2-[3-(4-phenylpiperazino)quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile Formula: C24H21N5O2S2 MolecularWeight: 475.58584

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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=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H21N5O2S2/c25-17-21(33(30,31)22-11-6-16-32-22)23-24(27-20-10-5-4-9-19(20)26-23)29-14-12-28(13-15-29)18-7-2-1-3-8-18/h1-11,16,21H,12-15H2