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

Systemtic Name: (2R)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile Openeye Name: (2R)-2-(benzenesulfonyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile CAS Name: (2R)-2-(benzenesulfonyl)-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2R)-2-(benzenesulfonyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile Traditional Name: (2R)-2-besyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile Formula: C21H22N5O2S+ MolecularWeight: 408.49668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-25-11-13-26(14-12-25)21-20(23-17-9-5-6-10-18(17)24-21)19(15-22)29(27,28)16-7-3-2-4-8-16/h2-10,19H,11-14H2,1H3/p+1/t19-/m0/s1