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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-16(2)17-6-8-18(9-7-17)29(26,27)23-13-11-22(12-14-23)15-19(24)21-10-4-5-20(25)28-3/h6-9,16H,4-5,10-15H2,1-3H3,(H,21,24)/p+1