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

Systemtic Name: methyl (2R)-4-methyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]pentanoate Traditional Name: (2R)-4-methyl-2-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]amino]valeric acid methyl ester Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-15(2)13-18(20(25)28-4)21-19(24)14-22-9-11-23(12-10-22)29(26,27)17-7-5-16(3)6-8-17/h5-8,15,18H,9-14H2,1-4H3,(H,21,24)/p+1/t18-/m1/s1