(2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-methylphenyl)ethanoate

Systemtic Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-methylphenyl)ethanoate Openeye Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(p-tolyl)acetate CAS Name: (2S)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-2-(4-methylphenyl)acetate IUPAC Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-methylphenyl)acetate Traditional Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(p-tolyl)acetate Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N2O5S/c1-15-3-5-16(6-4-15)19(20(23)24)21-11-13-22(14-12-21)28(25,26)18-9-7-17(27-2)8-10-18/h3-10,19H,11-14H2,1-2H3,(H,23,24)/t19-/m0/s1