methyl 4-[2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[4-(3-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]butyric acid methyl ester Formula: C19H28N3O6S+ MolecularWeight: 426.50712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCCC(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C19H27N3O6S/c1-15(23)16-5-3-6-17(13-16)29(26,27)22-11-9-21(10-12-22)14-18(24)20-8-4-7-19(25)28-2/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,20,24)/p+1