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

Systemtic Name: (2R)-2-(3-chlorophenyl)sulfonyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanenitrile Openeye Name: (2R)-2-(3-chlorophenyl)sulfonyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile CAS Name: (2R)-2-(3-chlorophenyl)sulfonyl-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2R)-2-(3-chlorophenyl)sulfonyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile Traditional Name: (2R)-2-(3-chlorophenyl)sulfonyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile Formula: C21H21ClN5O2S+ MolecularWeight: 442.94174

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O2S/c1-26-9-11-27(12-10-26)21-20(24-17-7-2-3-8-18(17)25-21)19(14-23)30(28,29)16-6-4-5-15(22)13-16/h2-8,13,19H,9-12H2,1H3/p+1/t19-/m0/s1