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

Systemtic Name: methyl 4-[2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]butyric acid methyl ester Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCCC(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C20H31N3O5S/c1-3-5-17-7-9-18(10-8-17)29(26,27)23-14-12-22(13-15-23)16-19(24)21-11-4-6-20(25)28-2/h7-10H,3-6,11-16H2,1-2H3,(H,21,24)/p+1