(2S)-2-[[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pentanedinitrile

Systemtic Name: (2S)-2-[[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pentanedinitrile Openeye Name: (2S)-2-[[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pentanedinitrile CAS Name: (2S)-2-[[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]pentanedinitrile IUPAC Name: (2S)-2-[[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pentanedinitrile Traditional Name: (2S)-2-[[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]glutaronitrile Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(CCC#N)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](CCC#N)C#N

InChI

InChI=1S/C18H22N4O3S/c1-15(23)17-4-6-18(7-5-17)26(24,25)22-11-9-21(10-12-22)14-16(13-20)3-2-8-19/h4-7,16H,2-3,9-12,14H2,1H3/p+1/t16-/m1/s1