(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanenitrile

Systemtic Name: (2R)-2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanenitrile Openeye Name: (2R)-2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile CAS Name: (2R)-2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-ethyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2R)-2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile Traditional Name: (2R)-2-(2,5-dimethylphenyl)sulfonyl-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetonitrile Formula: C24H28N5O2S+ MolecularWeight: 450.57642

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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=C(C=CC(=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2S/c1-4-28-11-13-29(14-12-28)24-23(26-19-7-5-6-8-20(19)27-24)22(16-25)32(30,31)21-15-17(2)9-10-18(21)3/h5-10,15,22H,4,11-14H2,1-3H3/p+1/t22-/m0/s1