methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(2-chlorophenyl)acetate CAS Name: (2R)-2-[4-(3-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-(2-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl (2R)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(2-chlorophenyl)acetate Traditional Name: (2R)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(2-chlorophenyl)acetic acid methyl ester Formula: C21H24ClN2O5S+ MolecularWeight: 451.94366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c1-15(25)16-6-5-7-17(14-16)30(27,28)24-12-10-23(11-13-24)20(21(26)29-2)18-8-3-4-9-19(18)22/h3-9,14,20H,10-13H2,1-2H3/p+1/t20-/m1/s1