N-[4-[(S)-cyano-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]methyl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[(S)-cyano-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]methyl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[(S)-cyano-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide CAS Name: N-[4-[(S)-cyano-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide IUPAC Name: N-[4-[(S)-cyano-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide Traditional Name: N-[4-[(S)-cyano-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide Formula: C23H25N6O3S+ MolecularWeight: 465.548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[C@H](C#N)C2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C

InChI

InChI=1S/C23H24N6O3S/c1-16(30)25-17-7-9-18(10-8-17)33(31,32)21(15-24)22-23(29-13-11-28(2)12-14-29)27-20-6-4-3-5-19(20)26-22/h3-10,21H,11-14H2,1-2H3,(H,25,30)/p+1/t21-/m1/s1