methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C20H24ClN2O4S+ MolecularWeight: 423.93356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C20H23ClN2O4S/c1-15-7-9-16(10-8-15)28(25,26)23-13-11-22(12-14-23)19(20(24)27-2)17-5-3-4-6-18(17)21/h3-10,19H,11-14H2,1-2H3/p+1/t19-/m1/s1