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

Systemtic Name: (2R)-2-(4-methoxyphenyl)sulfonyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanenitrile Openeye Name: (2R)-2-(4-methoxyphenyl)sulfonyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile CAS Name: (2R)-2-(4-methoxyphenyl)sulfonyl-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2R)-2-(4-methoxyphenyl)sulfonyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile Traditional Name: (2R)-2-(4-methoxyphenyl)sulfonyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile Formula: C22H24N5O3S+ MolecularWeight: 438.52266

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3S/c1-26-11-13-27(14-12-26)22-21(24-18-5-3-4-6-19(18)25-22)20(15-23)31(28,29)17-9-7-16(30-2)8-10-17/h3-10,20H,11-14H2,1-2H3/p+1/t20-/m0/s1