methyl 2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetic acid methyl ester Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S/c1-19(2,3)15-5-7-16(8-6-15)28(25,26)22-11-9-21(10-12-22)14-17(23)20-13-18(24)27-4/h5-8H,9-14H2,1-4H3,(H,20,23)/p+1