(2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(3-methylphenyl)sulfonyl-ethanenitrile

Systemtic Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(3-methylphenyl)sulfonyl-ethanenitrile Openeye Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(m-tolylsulfonyl)acetonitrile CAS Name: (2R)-2-[3-(4-ethyl-1-piperazin-4-iumyl)-2-quinoxalinyl]-2-(3-methylphenyl)sulfonylacetonitrile IUPAC Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(3-methylphenyl)sulfonylacetonitrile Traditional Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(m-tolylsulfonyl)acetonitrile Formula: C23H26N5O2S+ MolecularWeight: 436.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=CC(=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)S(=O)(=O)C4=CC=CC(=C4)C

InChI

InChI=1S/C23H25N5O2S/c1-3-27-11-13-28(14-12-27)23-22(25-19-9-4-5-10-20(19)26-23)21(16-24)31(29,30)18-8-6-7-17(2)15-18/h4-10,15,21H,3,11-14H2,1-2H3/p+1/t21-/m0/s1