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

Systemtic Name: methyl 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]amino]butyric acid methyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C18H27N3O5S/c1-15-5-7-16(8-6-15)27(24,25)21-12-10-20(11-13-21)14-17(22)19-9-3-4-18(23)26-2/h5-8H,3-4,9-14H2,1-2H3,(H,19,22)/p+1