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

Systemtic Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile Openeye Name: (2R)-2-(benzenesulfonyl)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile CAS Name: (2R)-2-(benzenesulfonyl)-2-[3-(4-ethyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2R)-2-(benzenesulfonyl)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile Traditional Name: (2R)-2-besyl-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile Formula: C22H24N5O2S+ MolecularWeight: 422.52326

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c1-2-26-12-14-27(15-13-26)22-21(24-18-10-6-7-11-19(18)25-22)20(16-23)30(28,29)17-8-4-3-5-9-17/h3-11,20H,2,12-15H2,1H3/p+1/t20-/m0/s1